4-(butanoylamino)-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide

C14H17N5O2 — CID 70266904

IUPAC4-(butanoylamino)-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide
SMILESCCCC(=O)Nc1nc[nH]c1C(=O)NCc1ccncc1
InChIInChI=1S/C14H17N5O2/c1-2-3-11(20)19-13-12(17-9-18-13)14(21)16-8-10-4-6-15-7-5-10/h4-7,9H,2-3,8H2,1H3,(H,16,21)(H,17,18)(H,19,20)
InChIKeyVJNLYEAUKYEOIU-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.47
Rot. Bonds6

About 4-(butanoylamino)-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide

4-(butanoylamino)-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide (PubChem CID 70266904) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-(butanoylamino)-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-(butanoylamino)-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide
PubChem CID70266904
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name4-(butanoylamino)-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide
SMILESCCCC(=O)Nc1nc[nH]c1C(=O)NCc1ccncc1
InChIInChI=1S/C14H17N5O2/c1-2-3-11(20)19-13-12(17-9-18-13)14(21)16-8-10-4-6-15-7-5-10/h4-7,9H,2-3,8H2,1H3,(H,16,21)(H,17,18)(H,19,20)
InChIKeyVJNLYEAUKYEOIU-UHFFFAOYSA-N
XLogP1.47
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(butanoylamino)-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(pyridin-4-ylmethyl)dodecanamide
CID 4285447
N-[4-(butanoylamino)-6-oxo-1H-pyrimidin-5-yl]butanamide
CID 135802457
N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]butanamide
CID 113027859
4-amino-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide
CID 63107423
3-(butylamino)-N-(pyridin-4-ylmethyl)propanamide
CID 109012394
2-iodo-N-(pyridin-4-ylmethyl)acetamide
CID 138478172
N-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)acetamide
CID 110690817
N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-4-propylbenzamide
CID 52851554
4-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1H-pyridine-3-carboxamide
CID 110648335
3-[acetyl(propyl)amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113114952
4-propoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6459003
N-pyrimidin-4-ylbutanamide
CID 130272746

Frequently Asked Questions

What is the IUPAC name of 4-(butanoylamino)-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide?
The IUPAC name of 4-(butanoylamino)-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide (CID 70266904) is 4-(butanoylamino)-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-(butanoylamino)-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-(butanoylamino)-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide is CCCC(=O)Nc1nc[nH]c1C(=O)NCc1ccncc1.
What is the InChIKey of 4-(butanoylamino)-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide?
The InChIKey is VJNLYEAUKYEOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-2-3-11(20)19-13-12(17-9-18-13)14(21)16-8-10-4-6-15-7-5-10/h4-7,9H,2-3,8H2,1H3,(H,16,21)(H,17,18)(H,19,20).
What are the key properties of 4-(butanoylamino)-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide?
4-(butanoylamino)-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butanoylamino)-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 70266904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).