1-(5-acetamido-2-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide

C16H19N5O3 — CID 95099061

IUPAC1-(5-acetamido-2-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide
SMILESCC(=O)Nc1ccc(-n2cnc(C(=O)NC[C@@H]3CCCO3)c2)nc1
InChIInChI=1S/C16H19N5O3/c1-11(22)20-12-4-5-15(17-7-12)21-9-14(19-10-21)16(23)18-8-13-3-2-6-24-13/h4-5,7,9-10,13H,2-3,6,8H2,1H3,(H,18,23)(H,20,22)/t13-/m0/s1
InChIKeyJLNZPWRWTGZDGI-ZDUSSCGKSA-N
MW329.36 g/mol
LogP1.13
Rot. Bonds5

About 1-(5-acetamido-2-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide

1-(5-acetamido-2-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide (PubChem CID 95099061) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 1-(5-acetamido-2-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(5-acetamido-2-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide
PubChem CID95099061
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name1-(5-acetamido-2-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide
SMILESCC(=O)Nc1ccc(-n2cnc(C(=O)NC[C@@H]3CCCO3)c2)nc1
InChIInChI=1S/C16H19N5O3/c1-11(22)20-12-4-5-15(17-7-12)21-9-14(19-10-21)16(23)18-8-13-3-2-6-24-13/h4-5,7,9-10,13H,2-3,6,8H2,1H3,(H,18,23)(H,20,22)/t13-/m0/s1
InChIKeyJLNZPWRWTGZDGI-ZDUSSCGKSA-N
XLogP1.13
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(5-acetamido-2-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide with MolForge

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Related Compounds

1-(6-methyl-2-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide
CID 1491434
N-[[(2R)-oxolan-2-yl]methyl]-1-phenylimidazole-4-carboxamide
CID 100816447
1-(6-morpholin-4-ylpyrimidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide
CID 95102243
N-[[(2S)-oxolan-2-yl]methyl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 95104422
1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 100852869
5-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 53110228
5-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 109276874
5-(cyclohexylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109183069
N'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7379139
N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
CID 109185060
3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053089
2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252451

Frequently Asked Questions

What is the IUPAC name of 1-(5-acetamido-2-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide?
The IUPAC name of 1-(5-acetamido-2-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide (CID 95099061) is 1-(5-acetamido-2-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-(5-acetamido-2-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide?
The canonical SMILES for 1-(5-acetamido-2-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide is CC(=O)Nc1ccc(-n2cnc(C(=O)NC[C@@H]3CCCO3)c2)nc1.
What is the InChIKey of 1-(5-acetamido-2-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide?
The InChIKey is JLNZPWRWTGZDGI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-11(22)20-12-4-5-15(17-7-12)21-9-14(19-10-21)16(23)18-8-13-3-2-6-24-13/h4-5,7,9-10,13H,2-3,6,8H2,1H3,(H,18,23)(H,20,22)/t13-/m0/s1.
What are the key properties of 1-(5-acetamido-2-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide?
1-(5-acetamido-2-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetamido-2-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 95099061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).