N-(2-chloro-6-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C15H12ClN3O — CID 141390702

IUPACN-(2-chloro-6-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)c1cc2cccnc2[nH]1
InChIInChI=1S/C15H12ClN3O/c1-9-4-2-6-11(16)13(9)19-15(20)12-8-10-5-3-7-17-14(10)18-12/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyQMLVMWJUWCDGDW-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.78
Rot. Bonds2

About N-(2-chloro-6-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

N-(2-chloro-6-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 141390702) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID141390702
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC NameN-(2-chloro-6-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)c1cc2cccnc2[nH]1
InChIInChI=1S/C15H12ClN3O/c1-9-4-2-6-11(16)13(9)19-15(20)12-8-10-5-3-7-17-14(10)18-12/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyQMLVMWJUWCDGDW-UHFFFAOYSA-N
XLogP3.78
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 141390705
7-amino-N-(2-chloro-6-methylphenyl)-1H-indole-2-carboxamide
CID 66251996
7-chloro-N-(3-methyl-2-pyridinyl)-1H-indole-2-carboxamide
CID 108804025
N-(4-fluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 141390704
N-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 141390644
N-(2-chloro-6-methylphenyl)pyrimidine-4-carboxamide
CID 141229709
2,6-dichloro-N-(2-chloro-6-methylphenyl)benzamide
CID 4548334
N-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 53486940
6-[(2-chloro-6-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 66254491
N-(2-chloro-6-methylphenyl)-4-hydrazinylpyridine-2-carboxamide
CID 66256413
7-amino-N-(3-methyl-2-pyridinyl)-1H-indole-2-carboxamide
CID 63117500
N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 122648492

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 141390702) is N-(2-chloro-6-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is Cc1cccc(Cl)c1NC(=O)c1cc2cccnc2[nH]1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is QMLVMWJUWCDGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-9-4-2-6-11(16)13(9)19-15(20)12-8-10-5-3-7-17-14(10)18-12/h2-8H,1H3,(H,17,18)(H,19,20).
What are the key properties of N-(2-chloro-6-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
N-(2-chloro-6-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 285.73 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 141390702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).