N-(2-chloro-3-pyridinyl)-2,3-dihydro-1H-indole-5-carboxamide

C14H12ClN3O — CID 43704526

IUPACN-(2-chloro-3-pyridinyl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESO=C(Nc1cccnc1Cl)c1ccc2c(c1)CCN2
InChIInChI=1S/C14H12ClN3O/c15-13-12(2-1-6-17-13)18-14(19)10-3-4-11-9(8-10)5-7-16-11/h1-4,6,8,16H,5,7H2,(H,18,19)
InChIKeyHQSWLDMUNOZDNC-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.96
Rot. Bonds2

About N-(2-chloro-3-pyridinyl)-2,3-dihydro-1H-indole-5-carboxamide

N-(2-chloro-3-pyridinyl)-2,3-dihydro-1H-indole-5-carboxamide (PubChem CID 43704526) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2,3-dihydro-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2,3-dihydro-1H-indole-5-carboxamide
PubChem CID43704526
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC NameN-(2-chloro-3-pyridinyl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESO=C(Nc1cccnc1Cl)c1ccc2c(c1)CCN2
InChIInChI=1S/C14H12ClN3O/c15-13-12(2-1-6-17-13)18-14(19)10-3-4-11-9(8-10)5-7-16-11/h1-4,6,8,16H,5,7H2,(H,18,19)
InChIKeyHQSWLDMUNOZDNC-UHFFFAOYSA-N
XLogP2.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325613
N-pyrimidin-2-yl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142516
N-(2-bromophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325607
N-(5-chloro-2-fluorophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43438489
N-(2,5-dichloro-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104727171
N-(1H-indazol-7-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43712758
N-pyridin-3-yl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142430
N-(3-bromo-2-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104938285
N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 103479340
N-(2-iodophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325719
N-(2,3,4-trifluorophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325563
N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325652

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2,3-dihydro-1H-indole-5-carboxamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2,3-dihydro-1H-indole-5-carboxamide (CID 43704526) is N-(2-chloro-3-pyridinyl)-2,3-dihydro-1H-indole-5-carboxamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2,3-dihydro-1H-indole-5-carboxamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2,3-dihydro-1H-indole-5-carboxamide is O=C(Nc1cccnc1Cl)c1ccc2c(c1)CCN2.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2,3-dihydro-1H-indole-5-carboxamide?
The InChIKey is HQSWLDMUNOZDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c15-13-12(2-1-6-17-13)18-14(19)10-3-4-11-9(8-10)5-7-16-11/h1-4,6,8,16H,5,7H2,(H,18,19).
What are the key properties of N-(2-chloro-3-pyridinyl)-2,3-dihydro-1H-indole-5-carboxamide?
N-(2-chloro-3-pyridinyl)-2,3-dihydro-1H-indole-5-carboxamide has a molecular weight of 273.72 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2,3-dihydro-1H-indole-5-carboxamide is sourced from PubChem (CID 43704526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).