N-(1H-benzimidazol-2-ylmethyl)-6-(cyclopropylamino)pyridine-3-carboxamide

C17H17N5O — CID 71937473

IUPACN-(1H-benzimidazol-2-ylmethyl)-6-(cyclopropylamino)pyridine-3-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1ccc(NC2CC2)nc1
InChIInChI=1S/C17H17N5O/c23-17(11-5-8-15(18-9-11)20-12-6-7-12)19-10-16-21-13-3-1-2-4-14(13)22-16/h1-5,8-9,12H,6-7,10H2,(H,18,20)(H,19,23)(H,21,22)
InChIKeySNIDIDIHJPPZDZ-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.46
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-6-(cyclopropylamino)pyridine-3-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-6-(cyclopropylamino)pyridine-3-carboxamide (PubChem CID 71937473) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-6-(cyclopropylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-6-(cyclopropylamino)pyridine-3-carboxamide
PubChem CID71937473
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-6-(cyclopropylamino)pyridine-3-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1ccc(NC2CC2)nc1
InChIInChI=1S/C17H17N5O/c23-17(11-5-8-15(18-9-11)20-12-6-7-12)19-10-16-21-13-3-1-2-4-14(13)22-16/h1-5,8-9,12H,6-7,10H2,(H,18,20)(H,19,23)(H,21,22)
InChIKeySNIDIDIHJPPZDZ-UHFFFAOYSA-N
XLogP2.46
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-2-[4-(cyclopropylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 117092012
N-(1H-benzimidazol-2-ylmethyl)-3-(cyclopropylsulfamoyl)benzamide
CID 18105121
N-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide
CID 103908650
N-(1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 18105110
N-(1H-benzimidazol-2-ylmethyl)-4-(4-methoxypiperidin-1-yl)benzamide
CID 91813649
N-(1H-benzimidazol-2-ylmethyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 21008804
N-(1H-benzimidazol-2-ylmethyl)-2,5-dichloropyridine-4-carboxamide
CID 105055625
N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
CID 51143940
N-(1H-benzimidazol-2-ylmethyl)-2-fluorobenzamide
CID 947655
N-(1H-benzimidazol-2-ylmethyl)-2-[4-(cyclopropylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 117086818
N-(1H-benzimidazol-2-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18105228
N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide
CID 18105208

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-6-(cyclopropylamino)pyridine-3-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-6-(cyclopropylamino)pyridine-3-carboxamide (CID 71937473) is N-(1H-benzimidazol-2-ylmethyl)-6-(cyclopropylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-6-(cyclopropylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-6-(cyclopropylamino)pyridine-3-carboxamide is O=C(NCc1nc2ccccc2[nH]1)c1ccc(NC2CC2)nc1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-6-(cyclopropylamino)pyridine-3-carboxamide?
The InChIKey is SNIDIDIHJPPZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c23-17(11-5-8-15(18-9-11)20-12-6-7-12)19-10-16-21-13-3-1-2-4-14(13)22-16/h1-5,8-9,12H,6-7,10H2,(H,18,20)(H,19,23)(H,21,22).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-6-(cyclopropylamino)pyridine-3-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-6-(cyclopropylamino)pyridine-3-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 2.46, 5 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)-6-(cyclopropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 71937473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).