N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide

C24H29N5O2 — CID 16963892

IUPACN-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cccnc1)c1nc2ccccc2n1CCC(=O)N1CCCCCC1
InChIInChI=1S/C24H29N5O2/c1-18(26-24(31)19-9-8-13-25-17-19)23-27-20-10-4-5-11-21(20)29(23)16-12-22(30)28-14-6-2-3-7-15-28/h4-5,8-11,13,17-18H,2-3,6-7,12,14-16H2,1H3,(H,26,31)
InChIKeyIBGWSXUTOHSLOM-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.71
Rot. Bonds6

About N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide

N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide (PubChem CID 16963892) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
PubChem CID16963892
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cccnc1)c1nc2ccccc2n1CCC(=O)N1CCCCCC1
InChIInChI=1S/C24H29N5O2/c1-18(26-24(31)19-9-8-13-25-17-19)23-27-20-10-4-5-11-21(20)29(23)16-12-22(30)28-14-6-2-3-7-15-28/h4-5,8-11,13,17-18H,2-3,6-7,12,14-16H2,1H3,(H,26,31)
InChIKeyIBGWSXUTOHSLOM-UHFFFAOYSA-N
XLogP3.71
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]acetamide
CID 16968227
N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967444
N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16973567
N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972651
N-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964378
N-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963792
ethyl 2-[2-[1-(pyridine-3-carbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16963894
N-[1-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963799
N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-bromobenzamide
CID 17009443
N-[1-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963822
N-[1-[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963863
N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963819

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide (CID 16963892) is N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide is CC(NC(=O)c1cccnc1)c1nc2ccccc2n1CCC(=O)N1CCCCCC1.
What is the InChIKey of N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is IBGWSXUTOHSLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-18(26-24(31)19-9-8-13-25-17-19)23-27-20-10-4-5-11-21(20)29(23)16-12-22(30)28-14-6-2-3-7-15-28/h4-5,8-11,13,17-18H,2-3,6-7,12,14-16H2,1H3,(H,26,31).
What are the key properties of N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide?
N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 16963892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).