N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-methoxypyridine-4-carboxamide

C26H39N5O3 — CID 59262405

IUPACN-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-methoxypyridine-4-carboxamide
SMILESCOc1cc(C(=O)N[C@@H]2CCC[C@H](C[C@@]3(CCC4CCCCC4)N=C(N)N(C)C3=O)C2)ccn1
InChIInChI=1S/C26H39N5O3/c1-31-24(33)26(30-25(31)27,13-11-18-7-4-3-5-8-18)17-19-9-6-10-21(15-19)29-23(32)20-12-14-28-22(16-20)34-2/h12,14,16,18-19,21H,3-11,13,15,17H2,1-2H3,(H2,27,30)(H,29,32)/t19-,21+,26+/m0/s1
InChIKeyHULBGYXEOINGSD-JDRJUVJTSA-N
MW469.63 g/mol
LogP3.65
Rot. Bonds8

About N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-methoxypyridine-4-carboxamide

N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-methoxypyridine-4-carboxamide (PubChem CID 59262405) has the molecular formula C26H39N5O3 and a molecular weight of 469.63 g/mol. Its IUPAC name is N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-methoxypyridine-4-carboxamide
PubChem CID59262405
Molecular FormulaC26H39N5O3
Molecular Weight469.63 g/mol
Exact Mass469.31
IUPAC NameN-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-methoxypyridine-4-carboxamide
SMILESCOc1cc(C(=O)N[C@@H]2CCC[C@H](C[C@@]3(CCC4CCCCC4)N=C(N)N(C)C3=O)C2)ccn1
InChIInChI=1S/C26H39N5O3/c1-31-24(33)26(30-25(31)27,13-11-18-7-4-3-5-8-18)17-19-9-6-10-21(15-19)29-23(32)20-12-14-28-22(16-20)34-2/h12,14,16,18-19,21H,3-11,13,15,17H2,1-2H3,(H2,27,30)(H,29,32)/t19-,21+,26+/m0/s1
InChIKeyHULBGYXEOINGSD-JDRJUVJTSA-N
XLogP3.65
TPSA109.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-methoxypyridine-4-carboxamide with MolForge

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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]-2-methoxypyridine-4-carboxamide?
The IUPAC name of N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-methoxypyridine-4-carboxamide (CID 59262405) is N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-methoxypyridine-4-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]-2-methoxypyridine-4-carboxamide?
The canonical SMILES for N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-methoxypyridine-4-carboxamide is COc1cc(C(=O)N[C@@H]2CCC[C@H](C[C@@]3(CCC4CCCCC4)N=C(N)N(C)C3=O)C2)ccn1.
What is the InChIKey of N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-methoxypyridine-4-carboxamide?
The InChIKey is HULBGYXEOINGSD-JDRJUVJTSA-N. The full InChI is InChI=1S/C26H39N5O3/c1-31-24(33)26(30-25(31)27,13-11-18-7-4-3-5-8-18)17-19-9-6-10-21(15-19)29-23(32)20-12-14-28-22(16-20)34-2/h12,14,16,18-19,21H,3-11,13,15,17H2,1-2H3,(H2,27,30)(H,29,32)/t19-,21+,26+/m0/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]-2-methoxypyridine-4-carboxamide?
N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-methoxypyridine-4-carboxamide has a molecular weight of 469.63 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 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]-2-methoxypyridine-4-carboxamide is sourced from PubChem (CID 59262405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).