N-[3-(1H-benzimidazol-2-yl)propyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide

C21H23N5O2 — CID 42150557

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C21H23N5O2/c1-13-15(14(2)24-21(28)16(13)12-22)9-10-20(27)23-11-5-8-19-25-17-6-3-4-7-18(17)26-19/h3-4,6-7H,5,8-11H2,1-2H3,(H,23,27)(H,24,28)(H,25,26)
InChIKeyZLSTZFHMFIXBRZ-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.42
Rot. Bonds7

About N-[3-(1H-benzimidazol-2-yl)propyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide

N-[3-(1H-benzimidazol-2-yl)propyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide (PubChem CID 42150557) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
PubChem CID42150557
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C21H23N5O2/c1-13-15(14(2)24-21(28)16(13)12-22)9-10-20(27)23-11-5-8-19-25-17-6-3-4-7-18(17)26-19/h3-4,6-7H,5,8-11H2,1-2H3,(H,23,27)(H,24,28)(H,25,26)
InChIKeyZLSTZFHMFIXBRZ-UHFFFAOYSA-N
XLogP2.42
TPSA114.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-phenylsulfanylpropyl)propanamide
CID 46563213
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide
CID 52661400
4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide
CID 120564390
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)propanamide
CID 167789601
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide
CID 55483862
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CID 29303584
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 29303573
N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
CID 52692952
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-iodophenyl)propanamide
CID 46520113
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
3-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylbutanamide;dihydrochloride
CID 120502679
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 30358132

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide (CID 42150557) is N-[3-(1H-benzimidazol-2-yl)propyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide?
The InChIKey is ZLSTZFHMFIXBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-13-15(14(2)24-21(28)16(13)12-22)9-10-20(27)23-11-5-8-19-25-17-6-3-4-7-18(17)26-19/h3-4,6-7H,5,8-11H2,1-2H3,(H,23,27)(H,24,28)(H,25,26).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide?
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide has a molecular weight of 377.45 g/mol, XLogP of 2.42, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide is sourced from PubChem (CID 42150557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).