N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C19H17N5O — CID 136530963

IUPACN-[(1-cyclopropylbenzimidazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(NCc1nc2ccccc2n1C1CC1)c1c[nH]c2ncccc12
InChIInChI=1S/C19H17N5O/c25-19(14-10-21-18-13(14)4-3-9-20-18)22-11-17-23-15-5-1-2-6-16(15)24(17)12-7-8-12/h1-6,9-10,12H,7-8,11H2,(H,20,21)(H,22,25)
InChIKeyHJSCLBQWTUVGTH-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.18
Rot. Bonds4

About N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 136530963) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopropylbenzimidazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID136530963
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC NameN-[(1-cyclopropylbenzimidazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(NCc1nc2ccccc2n1C1CC1)c1c[nH]c2ncccc12
InChIInChI=1S/C19H17N5O/c25-19(14-10-21-18-13(14)4-3-9-20-18)22-11-17-23-15-5-1-2-6-16(15)24(17)12-7-8-12/h1-6,9-10,12H,7-8,11H2,(H,20,21)(H,22,25)
InChIKeyHJSCLBQWTUVGTH-UHFFFAOYSA-N
XLogP3.18
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-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-[(1-cyclopropylbenzimidazol-2-yl)methyl]isoquinoline-4-carboxamide
CID 166212126
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 154793757
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 110712108
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-fluorophenyl)acetamide
CID 110712099
2-chloro-N-[(1-cyclopropylbenzimidazol-2-yl)methyl]acetamide;hydrochloride
CID 146089283
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 110712126
3-(aminomethyl)-N-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 167772045
1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-3-propylurea
CID 110747246
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(2-fluorophenoxy)acetamide
CID 110712137
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 110712110
N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 11231449
1-(1-cyclopropylbenzimidazol-2-yl)-N-methylmethanamine
CID 43142730

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 136530963) is N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is O=C(NCc1nc2ccccc2n1C1CC1)c1c[nH]c2ncccc12.
What is the InChIKey of N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is HJSCLBQWTUVGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c25-19(14-10-21-18-13(14)4-3-9-20-18)22-11-17-23-15-5-1-2-6-16(15)24(17)12-7-8-12/h1-6,9-10,12H,7-8,11H2,(H,20,21)(H,22,25).
What are the key properties of N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 136530963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).