N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-pyridin-2-ylpiperazine-1-carboxamide

C19H21N7O2 — CID 51053879

IUPACN-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(CNC(=O)N1CCN(c2ccccn2)CC1)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C19H21N7O2/c27-17(24-18-22-14-5-1-2-6-15(14)23-18)13-21-19(28)26-11-9-25(10-12-26)16-7-3-4-8-20-16/h1-8H,9-13H2,(H,21,28)(H2,22,23,24,27)
InChIKeyWSKMRJAMPBGGEE-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.43
Rot. Bonds4

About N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-pyridin-2-ylpiperazine-1-carboxamide

N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 51053879) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID51053879
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC NameN-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(CNC(=O)N1CCN(c2ccccn2)CC1)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C19H21N7O2/c27-17(24-18-22-14-5-1-2-6-15(14)23-18)13-21-19(28)26-11-9-25(10-12-26)16-7-3-4-8-20-16/h1-8H,9-13H2,(H,21,28)(H2,22,23,24,27)
InChIKeyWSKMRJAMPBGGEE-UHFFFAOYSA-N
XLogP1.43
TPSA106.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-pyridin-2-ylpiperazine-1-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

2-acetamido-N-(1H-benzimidazol-2-yl)acetamide
CID 60652558
N-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 51053799
N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 60565943
(2S)-2-hydroxy-3-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]propanoic acid
CID 107838022
(Z)-but-2-enedioic acid;2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole
CID 69199029
4-pyridin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxamide
CID 138994397
2-[[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]methyl]benzoic acid
CID 154843508
N-[(2-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 51274238
N-(1H-benzimidazol-2-ylmethyl)-2-[1-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]indol-3-yl]acetamide
CID 117087597
N-(1H-benzimidazol-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38790029
N-(1H-benzimidazol-2-yl)-4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidine-1-carboxamide
CID 58996943

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-pyridin-2-ylpiperazine-1-carboxamide (CID 51053879) is N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-pyridin-2-ylpiperazine-1-carboxamide is O=C(CNC(=O)N1CCN(c2ccccn2)CC1)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is WSKMRJAMPBGGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c27-17(24-18-22-14-5-1-2-6-15(14)23-18)13-21-19(28)26-11-9-25(10-12-26)16-7-3-4-8-20-16/h1-8H,9-13H2,(H,21,28)(H2,22,23,24,27).
What are the key properties of N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 51053879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).