N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide

C21H24N6O3S — CID 92634517

IUPACN-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
SMILESCc1nc(NC(=O)Cn2cc(C(=O)N[C@@H](c3nccn3C)C3CC3)ccc2=O)sc1C
InChIInChI=1S/C21H24N6O3S/c1-12-13(2)31-21(23-12)24-16(28)11-27-10-15(6-7-17(27)29)20(30)25-18(14-4-5-14)19-22-8-9-26(19)3/h6-10,14,18H,4-5,11H2,1-3H3,(H,25,30)(H,23,24,28)/t18-/m1/s1
InChIKeyNQBBZRMMFXPNNW-GOSISDBHSA-N
MW440.53 g/mol
LogP2.17
Rot. Bonds7

About N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide

N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide (PubChem CID 92634517) has the molecular formula C21H24N6O3S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
PubChem CID92634517
Molecular FormulaC21H24N6O3S
Molecular Weight440.53 g/mol
Exact Mass440.16
IUPAC NameN-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
SMILESCc1nc(NC(=O)Cn2cc(C(=O)N[C@@H](c3nccn3C)C3CC3)ccc2=O)sc1C
InChIInChI=1S/C21H24N6O3S/c1-12-13(2)31-21(23-12)24-16(28)11-27-10-15(6-7-17(27)29)20(30)25-18(14-4-5-14)19-22-8-9-26(19)3/h6-10,14,18H,4-5,11H2,1-3H3,(H,25,30)(H,23,24,28)/t18-/m1/s1
InChIKeyNQBBZRMMFXPNNW-GOSISDBHSA-N
XLogP2.17
TPSA110.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide with MolForge

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Related Compounds

2-amino-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 124852775
2-(5-amino-2-oxo-1-pyridinyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 62814622
4-(5-acetylthiophen-2-yl)-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]benzamide
CID 126448585
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 125436853
1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-oxopyridine-3-carboxamide
CID 92635227
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide
CID 125444734
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-[4-(dimethylamino)pyrimidin-2-yl]benzamide
CID 122570319
N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 128988058
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 122569754
N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-4-carboxamide
CID 129487211
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(4-ethylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110383047
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 122572248

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide (CID 92634517) is N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide is Cc1nc(NC(=O)Cn2cc(C(=O)N[C@@H](c3nccn3C)C3CC3)ccc2=O)sc1C.
What is the InChIKey of N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide?
The InChIKey is NQBBZRMMFXPNNW-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24N6O3S/c1-12-13(2)31-21(23-12)24-16(28)11-27-10-15(6-7-17(27)29)20(30)25-18(14-4-5-14)19-22-8-9-26(19)3/h6-10,14,18H,4-5,11H2,1-3H3,(H,25,30)(H,23,24,28)/t18-/m1/s1.
What are the key properties of N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide?
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide has a molecular weight of 440.53 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 92634517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).