N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-methoxypyridine-4-carboxamide;3-[3-[(4S,5R)-2-amino-1-methyl-6-oxo-5-prop-2-enyl-4,5-dihydropyrimidin-4-yl]phenyl]benzonitrile;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-4-carboxamide;ethane

C77H96N14O6 — CID 158776792

About N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-methoxypyridine-4-carboxamide;3-[3-[(4S,5R)-2-amino-1-methyl-6-oxo-5-prop-2-enyl-4,5-dihydropyrimidin-4-yl]phenyl]benzonitrile;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-4-carboxamide;ethane

N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-methoxypyridine-4-carboxamide;3-[3-[(4S,5R)-2-amino-1-methyl-6-oxo-5-prop-2-enyl-4,5-dihydropyrimidin-4-yl]phenyl]benzonitrile;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-4-carboxamide;ethane (PubChem CID 158776792) has the molecular formula C77H96N14O6 and a molecular weight of 1313.71 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;3-[3-[(4S,5R)-2-amino-1-methyl-6-oxo-5-prop-2-enyl-4,5-dihydropyrimidin-4-yl]phenyl]benzonitrile;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-4-carboxamide;ethane.

Molecular Properties

• Compound Name: N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-methoxypyridine-4-carboxamide;3-[3-[(4S,5R)-2-amino-1-methyl-6-oxo-5-prop-2-enyl-4,5-dihydropyrimidin-4-yl]phenyl]benzonitrile;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-4-carboxamide;ethane
• PubChem CID: 158776792
• Molecular Formula: C77H96N14O6
• Molecular Weight: 1313.71 g/mol
• Exact Mass: 1312.76
• IUPAC Name: N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-methoxypyridine-4-carboxamide;3-[3-[(4S,5R)-2-amino-1-methyl-6-oxo-5-prop-2-enyl-4,5-dihydropyrimidin-4-yl]phenyl]benzonitrile;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-4-carboxamide;ethane
• SMILES: C=CC[C@H]1C(=O)N(C)C(N)=N[C@@H]1c1cccc(-c2cccc(C#N)c2)c1.CC.CCCN(CCC)C(=O)c1ccnc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1.COc1cc(C(=O)N[C@@H]2CCC[C@H](C[C@@]3(CCC4CCCCC4)N=C(N)N(C)C3=O)C2)ccn1
• InChI: InChI=1S/C28H31N5O2.C26H39N5O3.C21H20N4O.C2H6/c1-3-17-32(18-4-2)25(34)21-15-16-30-24(19-21)20-33-26(35)28(31-27(33)29,22-11-7-5-8-12-22)23-13-9-6-10-14-23;1-31-24(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;1-3-6-18-19(24-21(23)25(2)20(18)26)17-10-5-9-16(12-17)15-8-4-7-14(11-15)13-22;1-2/h5-16,19H,3-4,17-18,20H2,1-2H3,(H2,29,31);12,14,16,18-19,21H,3-11,13,15,17H2,1-2H3,(H2,27,30)(H,29,32);3-5,7-12,18-19H,1,6H2,2H3,(H2,23,24);1-2H3/t;19-,21+,26+;18-,19-;/m.01./s1
• InChIKey: IQOLFUUAGUGWPI-ZJYCOPBGSA-N
• XLogP: 11.87
• TPSA: 284.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 21
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1313.71
LogP ≤ 5	11.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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;3-[3-[(4S,5R)-2-amino-1-methyl-6-oxo-5-prop-2-enyl-4,5-dihydropyrimidin-4-yl]phenyl]benzonitrile;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-4-carboxamide;ethane?

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;3-[3-[(4S,5R)-2-amino-1-methyl-6-oxo-5-prop-2-enyl-4,5-dihydropyrimidin-4-yl]phenyl]benzonitrile;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-4-carboxamide;ethane (CID 158776792) is N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-methoxypyridine-4-carboxamide;3-[3-[(4S,5R)-2-amino-1-methyl-6-oxo-5-prop-2-enyl-4,5-dihydropyrimidin-4-yl]phenyl]benzonitrile;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-4-carboxamide;ethane.

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;3-[3-[(4S,5R)-2-amino-1-methyl-6-oxo-5-prop-2-enyl-4,5-dihydropyrimidin-4-yl]phenyl]benzonitrile;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-4-carboxamide;ethane?

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;3-[3-[(4S,5R)-2-amino-1-methyl-6-oxo-5-prop-2-enyl-4,5-dihydropyrimidin-4-yl]phenyl]benzonitrile;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-4-carboxamide;ethane is C=CC[C@H]1C(=O)N(C)C(N)=N[C@@H]1c1cccc(-c2cccc(C#N)c2)c1.CC.CCCN(CCC)C(=O)c1ccnc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1.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;3-[3-[(4S,5R)-2-amino-1-methyl-6-oxo-5-prop-2-enyl-4,5-dihydropyrimidin-4-yl]phenyl]benzonitrile;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-4-carboxamide;ethane?

The InChIKey is IQOLFUUAGUGWPI-ZJYCOPBGSA-N. The full InChI is InChI=1S/C28H31N5O2.C26H39N5O3.C21H20N4O.C2H6/c1-3-17-32(18-4-2)25(34)21-15-16-30-24(19-21)20-33-26(35)28(31-27(33)29,22-11-7-5-8-12-22)23-13-9-6-10-14-23;1-31-24(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;1-3-6-18-19(24-21(23)25(2)20(18)26)17-10-5-9-16(12-17)15-8-4-7-14(11-15)13-22;1-2/h5-16,19H,3-4,17-18,20H2,1-2H3,(H2,29,31);12,14,16,18-19,21H,3-11,13,15,17H2,1-2H3,(H2,27,30)(H,29,32);3-5,7-12,18-19H,1,6H2,2H3,(H2,23,24);1-2H3/t;19-,21+,26+;18-,19-;/m.01./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;3-[3-[(4S,5R)-2-amino-1-methyl-6-oxo-5-prop-2-enyl-4,5-dihydropyrimidin-4-yl]phenyl]benzonitrile;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-4-carboxamide;ethane?

N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-methoxypyridine-4-carboxamide;3-[3-[(4S,5R)-2-amino-1-methyl-6-oxo-5-prop-2-enyl-4,5-dihydropyrimidin-4-yl]phenyl]benzonitrile;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-4-carboxamide;ethane has a molecular weight of 1313.71 g/mol, XLogP of 11.87, 21 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]-2-methoxypyridine-4-carboxamide;3-[3-[(4S,5R)-2-amino-1-methyl-6-oxo-5-prop-2-enyl-4,5-dihydropyrimidin-4-yl]phenyl]benzonitrile;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-4-carboxamide;ethane is sourced from PubChem (CID 158776792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).