N-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide

C15H13N3O — CID 162519663

IUPACN-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide
SMILESCNC(=O)c1ccc(-c2nccc3[nH]ccc23)cc1
InChIInChI=1S/C15H13N3O/c1-16-15(19)11-4-2-10(3-5-11)14-12-6-8-17-13(12)7-9-18-14/h2-9,17H,1H3,(H,16,19)
InChIKeyJTSOLRJDKUZTTC-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.59
Rot. Bonds2

About N-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide

N-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide (PubChem CID 162519663) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is N-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide.

Molecular Properties

Compound NameN-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide
PubChem CID162519663
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC NameN-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide
SMILESCNC(=O)c1ccc(-c2nccc3[nH]ccc23)cc1
InChIInChI=1S/C15H13N3O/c1-16-15(19)11-4-2-10(3-5-11)14-12-6-8-17-13(12)7-9-18-14/h2-9,17H,1H3,(H,16,19)
InChIKeyJTSOLRJDKUZTTC-UHFFFAOYSA-N
XLogP2.59
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide?
The IUPAC name of N-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide (CID 162519663) is N-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide.
What is the SMILES notation for N-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide?
The canonical SMILES for N-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide is CNC(=O)c1ccc(-c2nccc3[nH]ccc23)cc1.
What is the InChIKey of N-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide?
The InChIKey is JTSOLRJDKUZTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-16-15(19)11-4-2-10(3-5-11)14-12-6-8-17-13(12)7-9-18-14/h2-9,17H,1H3,(H,16,19).
What are the key properties of N-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide?
N-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide has a molecular weight of 251.29 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide is sourced from PubChem (CID 162519663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).