7-chloro-N-methyl-N-pyridin-2-yl-1H-indole-2-carboxamide

C15H12ClN3O — CID 166475967

IUPAC7-chloro-N-methyl-N-pyridin-2-yl-1H-indole-2-carboxamide
SMILESCN(C(=O)c1cc2cccc(Cl)c2[nH]1)c1ccccn1
InChIInChI=1S/C15H12ClN3O/c1-19(13-7-2-3-8-17-13)15(20)12-9-10-5-4-6-11(16)14(10)18-12/h2-9,18H,1H3
InChIKeyGRNCOSXNEZSSLD-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.49
Rot. Bonds2

About 7-chloro-N-methyl-N-pyridin-2-yl-1H-indole-2-carboxamide

7-chloro-N-methyl-N-pyridin-2-yl-1H-indole-2-carboxamide (PubChem CID 166475967) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 7-chloro-N-methyl-N-pyridin-2-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-methyl-N-pyridin-2-yl-1H-indole-2-carboxamide
PubChem CID166475967
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name7-chloro-N-methyl-N-pyridin-2-yl-1H-indole-2-carboxamide
SMILESCN(C(=O)c1cc2cccc(Cl)c2[nH]1)c1ccccn1
InChIInChI=1S/C15H12ClN3O/c1-19(13-7-2-3-8-17-13)15(20)12-9-10-5-4-6-11(16)14(10)18-12/h2-9,18H,1H3
InChIKeyGRNCOSXNEZSSLD-UHFFFAOYSA-N
XLogP3.49
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-methyl-N-pyridin-2-yl-1H-indole-2-carboxamide?
The IUPAC name of 7-chloro-N-methyl-N-pyridin-2-yl-1H-indole-2-carboxamide (CID 166475967) is 7-chloro-N-methyl-N-pyridin-2-yl-1H-indole-2-carboxamide.
What is the SMILES notation for 7-chloro-N-methyl-N-pyridin-2-yl-1H-indole-2-carboxamide?
The canonical SMILES for 7-chloro-N-methyl-N-pyridin-2-yl-1H-indole-2-carboxamide is CN(C(=O)c1cc2cccc(Cl)c2[nH]1)c1ccccn1.
What is the InChIKey of 7-chloro-N-methyl-N-pyridin-2-yl-1H-indole-2-carboxamide?
The InChIKey is GRNCOSXNEZSSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-19(13-7-2-3-8-17-13)15(20)12-9-10-5-4-6-11(16)14(10)18-12/h2-9,18H,1H3.
What are the key properties of 7-chloro-N-methyl-N-pyridin-2-yl-1H-indole-2-carboxamide?
7-chloro-N-methyl-N-pyridin-2-yl-1H-indole-2-carboxamide has a molecular weight of 285.73 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-methyl-N-pyridin-2-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 166475967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).