5-chloro-N-(1-pyridin-4-ylcyclopropyl)-1H-indole-2-carboxamide

C17H14ClN3O — CID 118425240

IUPAC5-chloro-N-(1-pyridin-4-ylcyclopropyl)-1H-indole-2-carboxamide
SMILESO=C(NC1(c2ccncc2)CC1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C17H14ClN3O/c18-13-1-2-14-11(9-13)10-15(20-14)16(22)21-17(5-6-17)12-3-7-19-8-4-12/h1-4,7-10,20H,5-6H2,(H,21,22)
InChIKeyOJJZLVKSKWDHEZ-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.64
Rot. Bonds3

About 5-chloro-N-(1-pyridin-4-ylcyclopropyl)-1H-indole-2-carboxamide

5-chloro-N-(1-pyridin-4-ylcyclopropyl)-1H-indole-2-carboxamide (PubChem CID 118425240) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 5-chloro-N-(1-pyridin-4-ylcyclopropyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-pyridin-4-ylcyclopropyl)-1H-indole-2-carboxamide
PubChem CID118425240
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name5-chloro-N-(1-pyridin-4-ylcyclopropyl)-1H-indole-2-carboxamide
SMILESO=C(NC1(c2ccncc2)CC1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C17H14ClN3O/c18-13-1-2-14-11(9-13)10-15(20-14)16(22)21-17(5-6-17)12-3-7-19-8-4-12/h1-4,7-10,20H,5-6H2,(H,21,22)
InChIKeyOJJZLVKSKWDHEZ-UHFFFAOYSA-N
XLogP3.64
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide
CID 118425270
5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
CID 53016250
5-chloro-N-(3,4-difluorophenyl)-1H-indole-2-carboxamide
CID 113207264
5-chloro-N-(3-phenyloxetan-3-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 118425281
5-chloro-N-[1-[5-[[3-[(5-chloro-1H-indole-2-carbonyl)amino]-3-(1-methylpyrazol-4-yl)cyclobutyl]methyl]-1,2-oxazol-3-yl]cyclopropyl]-1H-indole-2-carboxamide
CID 137379669
6-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide
CID 144936006
5-chloro-1H-indole-2-carboxylate
CID 6933350
5-chloro-N-[(E)-pyridin-3-ylmethylideneamino]-1H-indole-2-carboxamide
CID 134612400
5-chloro-1H-indole-2-carboxylic acid;ethane
CID 143173847
N-[(4R)-4-amino-2-oxopyrrolidin-3-yl]-5-chloro-1H-indole-2-carboxamide
CID 141094418
5-chloro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide
CID 78856647
5-chloro-N'-(2,6-difluorobenzoyl)-1H-indole-2-carbohydrazide
CID 59992565

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-pyridin-4-ylcyclopropyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-(1-pyridin-4-ylcyclopropyl)-1H-indole-2-carboxamide (CID 118425240) is 5-chloro-N-(1-pyridin-4-ylcyclopropyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-pyridin-4-ylcyclopropyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1-pyridin-4-ylcyclopropyl)-1H-indole-2-carboxamide is O=C(NC1(c2ccncc2)CC1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-(1-pyridin-4-ylcyclopropyl)-1H-indole-2-carboxamide?
The InChIKey is OJJZLVKSKWDHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c18-13-1-2-14-11(9-13)10-15(20-14)16(22)21-17(5-6-17)12-3-7-19-8-4-12/h1-4,7-10,20H,5-6H2,(H,21,22).
What are the key properties of 5-chloro-N-(1-pyridin-4-ylcyclopropyl)-1H-indole-2-carboxamide?
5-chloro-N-(1-pyridin-4-ylcyclopropyl)-1H-indole-2-carboxamide has a molecular weight of 311.77 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-pyridin-4-ylcyclopropyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 118425240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).