N-(1H-benzimidazol-2-ylmethyl)-2-(isoquinolin-1-ylamino)pyridine-4-carboxamide

C23H18N6O — CID 117089781

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-(isoquinolin-1-ylamino)pyridine-4-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1ccnc(Nc2nccc3ccccc23)c1
InChIInChI=1S/C23H18N6O/c30-23(26-14-21-27-18-7-3-4-8-19(18)28-21)16-10-11-24-20(13-16)29-22-17-6-2-1-5-15(17)9-12-25-22/h1-13H,14H2,(H,26,30)(H,27,28)(H,24,25,29)
InChIKeyUMPVTYHKENQJTL-UHFFFAOYSA-N
MW394.44 g/mol
LogP4.18
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-2-(isoquinolin-1-ylamino)pyridine-4-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-2-(isoquinolin-1-ylamino)pyridine-4-carboxamide (PubChem CID 117089781) has the molecular formula C23H18N6O and a molecular weight of 394.44 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-(isoquinolin-1-ylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-(isoquinolin-1-ylamino)pyridine-4-carboxamide
PubChem CID117089781
Molecular FormulaC23H18N6O
Molecular Weight394.44 g/mol
Exact Mass394.15
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-(isoquinolin-1-ylamino)pyridine-4-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1ccnc(Nc2nccc3ccccc23)c1
InChIInChI=1S/C23H18N6O/c30-23(26-14-21-27-18-7-3-4-8-19(18)28-21)16-10-11-24-20(13-16)29-22-17-6-2-1-5-15(17)9-12-25-22/h1-13H,14H2,(H,26,30)(H,27,28)(H,24,25,29)
InChIKeyUMPVTYHKENQJTL-UHFFFAOYSA-N
XLogP4.18
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(1H-benzimidazol-2-ylmethyl)-2-(isoquinolin-1-ylamino)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridine-4-carboxamide
CID 103607169
N-(1H-benzimidazol-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 75479843
N-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide
CID 103908650
N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
CID 51143940
N-(1H-benzimidazol-2-ylmethyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 21008804
N-(1H-benzimidazol-2-ylmethyl)-2-[4-(cyclopropylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 117092012
N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide
CID 18105208
N-(1H-benzimidazol-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide
CID 21008774
N-(1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 18105110
N-(1H-benzimidazol-2-ylmethyl)-2,5-dichloropyridine-4-carboxamide
CID 105055625
N-(1H-benzimidazol-2-ylmethyl)-2-fluorobenzamide
CID 947655
N-(1H-benzimidazol-2-ylmethyl)-6-(cyclopropylamino)pyridine-3-carboxamide
CID 71937473

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-(isoquinolin-1-ylamino)pyridine-4-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-(isoquinolin-1-ylamino)pyridine-4-carboxamide (CID 117089781) is N-(1H-benzimidazol-2-ylmethyl)-2-(isoquinolin-1-ylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-(isoquinolin-1-ylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-(isoquinolin-1-ylamino)pyridine-4-carboxamide is O=C(NCc1nc2ccccc2[nH]1)c1ccnc(Nc2nccc3ccccc23)c1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-(isoquinolin-1-ylamino)pyridine-4-carboxamide?
The InChIKey is UMPVTYHKENQJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O/c30-23(26-14-21-27-18-7-3-4-8-19(18)28-21)16-10-11-24-20(13-16)29-22-17-6-2-1-5-15(17)9-12-25-22/h1-13H,14H2,(H,26,30)(H,27,28)(H,24,25,29).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-(isoquinolin-1-ylamino)pyridine-4-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-2-(isoquinolin-1-ylamino)pyridine-4-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 4.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2-(isoquinolin-1-ylamino)pyridine-4-carboxamide is sourced from PubChem (CID 117089781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).