N-(1H-benzimidazol-2-ylmethyl)-2-[4-(cyclopropylcarbamoyl)phenyl]pyridine-4-carboxamide

C24H21N5O2 — CID 117092012

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-[4-(cyclopropylcarbamoyl)phenyl]pyridine-4-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1ccnc(-c2ccc(C(=O)NC3CC3)cc2)c1
InChIInChI=1S/C24H21N5O2/c30-23(26-14-22-28-19-3-1-2-4-20(19)29-22)17-11-12-25-21(13-17)15-5-7-16(8-6-15)24(31)27-18-9-10-18/h1-8,11-13,18H,9-10,14H2,(H,26,30)(H,27,31)(H,28,29)
InChIKeyQJNJIYHGDZGOGR-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.45
Rot. Bonds6

About N-(1H-benzimidazol-2-ylmethyl)-2-[4-(cyclopropylcarbamoyl)phenyl]pyridine-4-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-2-[4-(cyclopropylcarbamoyl)phenyl]pyridine-4-carboxamide (PubChem CID 117092012) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-[4-(cyclopropylcarbamoyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-[4-(cyclopropylcarbamoyl)phenyl]pyridine-4-carboxamide
PubChem CID117092012
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-[4-(cyclopropylcarbamoyl)phenyl]pyridine-4-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1ccnc(-c2ccc(C(=O)NC3CC3)cc2)c1
InChIInChI=1S/C24H21N5O2/c30-23(26-14-22-28-19-3-1-2-4-20(19)29-22)17-11-12-25-21(13-17)15-5-7-16(8-6-15)24(31)27-18-9-10-18/h1-8,11-13,18H,9-10,14H2,(H,26,30)(H,27,31)(H,28,29)
InChIKeyQJNJIYHGDZGOGR-UHFFFAOYSA-N
XLogP3.45
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-2-[4-(cyclopropylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 117086818
N-(1H-benzimidazol-2-ylmethyl)-6-(cyclopropylamino)pyridine-3-carboxamide
CID 71937473
N-(1H-benzimidazol-2-ylmethyl)-3-(cyclopropylsulfamoyl)benzamide
CID 18105121
4-[4-(1H-benzimidazol-2-ylmethylamino)-6-methoxy-1,3,5-triazin-2-yl]-N-cyclopropylbenzamide
CID 117082126
N-(1H-benzimidazol-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide
CID 21008774
N-(1H-benzimidazol-2-ylmethyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 21008804
4-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexylbenzamide
CID 50789505
N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide
CID 18105208
N-(1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 18105110
2-[4-(cyclopropylcarbamoyl)phenyl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 117088266
N-(1H-benzimidazol-2-ylmethyl)-2-(isoquinolin-1-ylamino)pyridine-4-carboxamide
CID 117089781
4-[6-(1H-benzimidazol-2-ylmethylamino)-9-cyclohexylpurin-2-yl]-N-cyclopropylbenzamide
CID 117081549

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-[4-(cyclopropylcarbamoyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-[4-(cyclopropylcarbamoyl)phenyl]pyridine-4-carboxamide (CID 117092012) is N-(1H-benzimidazol-2-ylmethyl)-2-[4-(cyclopropylcarbamoyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-[4-(cyclopropylcarbamoyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-[4-(cyclopropylcarbamoyl)phenyl]pyridine-4-carboxamide is O=C(NCc1nc2ccccc2[nH]1)c1ccnc(-c2ccc(C(=O)NC3CC3)cc2)c1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-[4-(cyclopropylcarbamoyl)phenyl]pyridine-4-carboxamide?
The InChIKey is QJNJIYHGDZGOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c30-23(26-14-22-28-19-3-1-2-4-20(19)29-22)17-11-12-25-21(13-17)15-5-7-16(8-6-15)24(31)27-18-9-10-18/h1-8,11-13,18H,9-10,14H2,(H,26,30)(H,27,31)(H,28,29).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-[4-(cyclopropylcarbamoyl)phenyl]pyridine-4-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-2-[4-(cyclopropylcarbamoyl)phenyl]pyridine-4-carboxamide has a molecular weight of 411.47 g/mol, XLogP of 3.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2-[4-(cyclopropylcarbamoyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 117092012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).