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

C24H29N5O2 — CID 16964378

IUPACN-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1nc2ccccc2n1CCC(=O)N1CCCCCC1)c1cccnc1
InChIInChI=1S/C24H29N5O2/c30-23(28-15-5-1-2-6-16-28)12-17-29-21-10-4-3-9-20(21)27-22(29)11-14-26-24(31)19-8-7-13-25-18-19/h3-4,7-10,13,18H,1-2,5-6,11-12,14-17H2,(H,26,31)
InChIKeyTWWZQYBLAQXGCL-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.20
Rot. Bonds7

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

N-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide (PubChem CID 16964378) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
PubChem CID16964378
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1nc2ccccc2n1CCC(=O)N1CCCCCC1)c1cccnc1
InChIInChI=1S/C24H29N5O2/c30-23(28-15-5-1-2-6-16-28)12-17-29-21-10-4-3-9-20(21)27-22(29)11-14-26-24(31)19-8-7-13-25-18-19/h3-4,7-10,13,18H,1-2,5-6,11-12,14-17H2,(H,26,31)
InChIKeyTWWZQYBLAQXGCL-UHFFFAOYSA-N
XLogP3.20
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975852
N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964275
N-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980349
N-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]-3,4-dimethoxybenzamide
CID 16976965
N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963892
N-[3-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]propyl]-3-chlorobenzamide
CID 16983608
N-[2-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964375
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964259
ethyl 2-[2-[2-(pyridine-3-carbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16964380
N-[3-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964538
3-bromo-N-[2-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16977876
N-[2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964288

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide (CID 16964378) is N-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide is O=C(NCCc1nc2ccccc2n1CCC(=O)N1CCCCCC1)c1cccnc1.
What is the InChIKey of N-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is TWWZQYBLAQXGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c30-23(28-15-5-1-2-6-16-28)12-17-29-21-10-4-3-9-20(21)27-22(29)11-14-26-24(31)19-8-7-13-25-18-19/h3-4,7-10,13,18H,1-2,5-6,11-12,14-17H2,(H,26,31).
What are the key properties of N-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide?
N-[2-[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 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 16964378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).