N-(pyridin-3-ylmethyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide

C14H12N4O — CID 123424448

IUPACN-(pyridin-3-ylmethyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1c[nH]c2ccncc12
InChIInChI=1S/C14H12N4O/c19-14(18-7-10-2-1-4-15-6-10)12-9-17-13-3-5-16-8-11(12)13/h1-6,8-9,17H,7H2,(H,18,19)
InChIKeyBJGPWOWOFMZLJW-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.89
Rot. Bonds3

About N-(pyridin-3-ylmethyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide

N-(pyridin-3-ylmethyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide (PubChem CID 123424448) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide
PubChem CID123424448
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC NameN-(pyridin-3-ylmethyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1c[nH]c2ccncc12
InChIInChI=1S/C14H12N4O/c19-14(18-7-10-2-1-4-15-6-10)12-9-17-13-3-5-16-8-11(12)13/h1-6,8-9,17H,7H2,(H,18,19)
InChIKeyBJGPWOWOFMZLJW-UHFFFAOYSA-N
XLogP1.89
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-1H-indol-3-yl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 113208230
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100
2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 113208767
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
1-(1H-indol-3-yl)-3-(pyridin-3-ylmethyl)urea
CID 18582261
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 4806902
2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 2986089
2,4-dioxo-3-phenyl-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 166322105
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479
5-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide
CID 2995794
3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 135653937

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide (CID 123424448) is N-(pyridin-3-ylmethyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide is O=C(NCc1cccnc1)c1c[nH]c2ccncc12.
What is the InChIKey of N-(pyridin-3-ylmethyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide?
The InChIKey is BJGPWOWOFMZLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c19-14(18-7-10-2-1-4-15-6-10)12-9-17-13-3-5-16-8-11(12)13/h1-6,8-9,17H,7H2,(H,18,19).
What are the key properties of N-(pyridin-3-ylmethyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide?
N-(pyridin-3-ylmethyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 123424448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).