N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]pyridine-3-carboxamide

C24H28N6O3 — CID 44588738

IUPACN-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]pyridine-3-carboxamide
SMILESCN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1cccnc1)n2CCC(N)=O
InChIInChI=1S/C24H28N6O3/c1-29(23(33)16-6-3-2-4-7-16)18-9-10-20-19(14-18)27-24(30(20)13-11-21(25)31)28-22(32)17-8-5-12-26-15-17/h5,8-10,12,14-16H,2-4,6-7,11,13H2,1H3,(H2,25,31)(H,27,28,32)
InChIKeyGWPQJRDWVXCIBI-UHFFFAOYSA-N
MW448.53 g/mol
LogP3.10
Rot. Bonds7

About N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]pyridine-3-carboxamide

N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]pyridine-3-carboxamide (PubChem CID 44588738) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]pyridine-3-carboxamide
PubChem CID44588738
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC NameN-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]pyridine-3-carboxamide
SMILESCN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1cccnc1)n2CCC(N)=O
InChIInChI=1S/C24H28N6O3/c1-29(23(33)16-6-3-2-4-7-16)18-9-10-20-19(14-18)27-24(30(20)13-11-21(25)31)28-22(32)17-8-5-12-26-15-17/h5,8-10,12,14-16H,2-4,6-7,11,13H2,1H3,(H2,25,31)(H,27,28,32)
InChIKeyGWPQJRDWVXCIBI-UHFFFAOYSA-N
XLogP3.10
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]pyridine-3-carboxamide (CID 44588738) is N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]pyridine-3-carboxamide is CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1cccnc1)n2CCC(N)=O.
What is the InChIKey of N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]pyridine-3-carboxamide?
The InChIKey is GWPQJRDWVXCIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-29(23(33)16-6-3-2-4-7-16)18-9-10-20-19(14-18)27-24(30(20)13-11-21(25)31)28-22(32)17-8-5-12-26-15-17/h5,8-10,12,14-16H,2-4,6-7,11,13H2,1H3,(H2,25,31)(H,27,28,32).
What are the key properties of N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]pyridine-3-carboxamide?
N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]pyridine-3-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 44588738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).