N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-methoxypyridine-3-carboxamide;2-amino-5-(3-fluoro-5-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one;6-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-2-carboxamide

C75H87FN14O6 — CID 159322521

IUPACN-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-methoxypyridine-3-carboxamide;2-amino-5-(3-fluoro-5-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one;6-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)n1.CN1C(=O)C(c2ccccc2)(c2cc(F)cc(-c3cccnc3)c2)N=C1N.COc1ccc(C(=O)N[C@@H]2CCC[C@H](C[C@@]3(CCC4CCCCC4)N=C(N)N(C)C3=O)C2)cn1
InChIInChI=1S/C28H31N5O2.C26H39N5O3.C21H17FN4O/c1-3-18-32(19-4-2)25(34)24-17-11-16-23(30-24)20-33-26(35)28(31-27(33)29,21-12-7-5-8-13-21)22-14-9-6-10-15-22;1-31-24(33)26(30-25(31)27,14-13-18-7-4-3-5-8-18)16-19-9-6-10-21(15-19)29-23(32)20-11-12-22(34-2)28-17-20;1-26-19(27)21(25-20(26)23,16-7-3-2-4-8-16)17-10-15(11-18(22)12-17)14-6-5-9-24-13-14/h5-17H,3-4,18-20H2,1-2H3,(H2,29,31);11-12,17-19,21H,3-10,13-16H2,1-2H3,(H2,27,30)(H,29,32);2-13H,1H3,(H2,23,25)/t;19-,21+,26+;/m.0./s1
InChIKeyLDYHGHKQANQWLV-WPRQULGUSA-N
MW1299.61 g/mol
LogP10.52
Rot. Bonds20

About N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-methoxypyridine-3-carboxamide;2-amino-5-(3-fluoro-5-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one;6-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-2-carboxamide

N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-methoxypyridine-3-carboxamide;2-amino-5-(3-fluoro-5-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one;6-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-2-carboxamide (PubChem CID 159322521) has the molecular formula C75H87FN14O6 and a molecular weight of 1299.61 g/mol. Its IUPAC name is N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-methoxypyridine-3-carboxamide;2-amino-5-(3-fluoro-5-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one;6-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-methoxypyridine-3-carboxamide;2-amino-5-(3-fluoro-5-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one;6-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-2-carboxamide
PubChem CID159322521
Molecular FormulaC75H87FN14O6
Molecular Weight1299.61 g/mol
Exact Mass1298.69
IUPAC NameN-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-methoxypyridine-3-carboxamide;2-amino-5-(3-fluoro-5-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one;6-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)n1.CN1C(=O)C(c2ccccc2)(c2cc(F)cc(-c3cccnc3)c2)N=C1N.COc1ccc(C(=O)N[C@@H]2CCC[C@H](C[C@@]3(CCC4CCCCC4)N=C(N)N(C)C3=O)C2)cn1
InChIInChI=1S/C28H31N5O2.C26H39N5O3.C21H17FN4O/c1-3-18-32(19-4-2)25(34)24-17-11-16-23(30-24)20-33-26(35)28(31-27(33)29,21-12-7-5-8-13-21)22-14-9-6-10-15-22;1-31-24(33)26(30-25(31)27,14-13-18-7-4-3-5-8-18)16-19-9-6-10-21(15-19)29-23(32)20-11-12-22(34-2)28-17-20;1-26-19(27)21(25-20(26)23,16-7-3-2-4-8-16)17-10-15(11-18(22)12-17)14-6-5-9-24-13-14/h5-17H,3-4,18-20H2,1-2H3,(H2,29,31);11-12,17-19,21H,3-10,13-16H2,1-2H3,(H2,27,30)(H,29,32);2-13H,1H3,(H2,23,25)/t;19-,21+,26+;/m.0./s1
InChIKeyLDYHGHKQANQWLV-WPRQULGUSA-N
XLogP10.52
TPSA273.38 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001299.61
LogP ≤ 510.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-methoxypyridine-3-carboxamide;2-amino-5-(3-fluoro-5-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one;6-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-2-carboxamide with MolForge

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Related Compounds

5-(4-(2,4-difluorobenzoyl) piperidine-1-carbonyl)-N-(1-(4-methoxybenzyl) piperidin-4-yl)picolinamide
CID 66710337
5-(4-(3,4-difluorobenzoyl) piperidine-1-carbonyl)-N-(1-(4-methoxybenzyl) piperidin-4-yl)picolinamide
CID 66710605
5-(4-(4-fluorobenzoyl)piperidine-1-carbonyl)-N-(1-(4-methoxybenzyl)piperidin-4-yl)picolinamide
CID 66710693
6-(4-(2,4-difluorobenzoyl) piperidine-1-carbonyl)-N-(1-(4-methoxybenzyl) piperidin-4-yl)nicotinamide
CID 66710714
US10807959, Example 79
CID 146370747
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-4-methylpyridine-3-carboxamide
CID 172454337
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-[3-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 89737694
N-[(3S,4R)-3-fluoro-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 89737705
N-[(3R,4R)-3-fluoro-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 89737783
N-[(3S,4R)-1-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 89737847
N-[(3R,4R)-3-fluoro-1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 89737972
N-[(3R,4R)-3-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 89737974

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-methoxypyridine-3-carboxamide;2-amino-5-(3-fluoro-5-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one;6-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-2-carboxamide?
The IUPAC name of N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-methoxypyridine-3-carboxamide;2-amino-5-(3-fluoro-5-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one;6-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-2-carboxamide (CID 159322521) is N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-methoxypyridine-3-carboxamide;2-amino-5-(3-fluoro-5-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one;6-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-2-carboxamide.
What is the SMILES notation for N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-methoxypyridine-3-carboxamide;2-amino-5-(3-fluoro-5-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one;6-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-2-carboxamide?
The canonical SMILES for N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-methoxypyridine-3-carboxamide;2-amino-5-(3-fluoro-5-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one;6-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-2-carboxamide is CCCN(CCC)C(=O)c1cccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)n1.CN1C(=O)C(c2ccccc2)(c2cc(F)cc(-c3cccnc3)c2)N=C1N.COc1ccc(C(=O)N[C@@H]2CCC[C@H](C[C@@]3(CCC4CCCCC4)N=C(N)N(C)C3=O)C2)cn1.
What is the InChIKey of N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-methoxypyridine-3-carboxamide;2-amino-5-(3-fluoro-5-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one;6-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-2-carboxamide?
The InChIKey is LDYHGHKQANQWLV-WPRQULGUSA-N. The full InChI is InChI=1S/C28H31N5O2.C26H39N5O3.C21H17FN4O/c1-3-18-32(19-4-2)25(34)24-17-11-16-23(30-24)20-33-26(35)28(31-27(33)29,21-12-7-5-8-13-21)22-14-9-6-10-15-22;1-31-24(33)26(30-25(31)27,14-13-18-7-4-3-5-8-18)16-19-9-6-10-21(15-19)29-23(32)20-11-12-22(34-2)28-17-20;1-26-19(27)21(25-20(26)23,16-7-3-2-4-8-16)17-10-15(11-18(22)12-17)14-6-5-9-24-13-14/h5-17H,3-4,18-20H2,1-2H3,(H2,29,31);11-12,17-19,21H,3-10,13-16H2,1-2H3,(H2,27,30)(H,29,32);2-13H,1H3,(H2,23,25)/t;19-,21+,26+;/m.0./s1.
What are the key properties of N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-methoxypyridine-3-carboxamide;2-amino-5-(3-fluoro-5-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one;6-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-2-carboxamide?
N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-methoxypyridine-3-carboxamide;2-amino-5-(3-fluoro-5-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one;6-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-2-carboxamide has a molecular weight of 1299.61 g/mol, XLogP of 10.52, 20 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-methoxypyridine-3-carboxamide;2-amino-5-(3-fluoro-5-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one;6-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-2-carboxamide is sourced from PubChem (CID 159322521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).