2-chloro-N-(1-propylindol-5-yl)pyridine-4-carboxamide

C17H16ClN3O — CID 52806998

IUPAC2-chloro-N-(1-propylindol-5-yl)pyridine-4-carboxamide
SMILESCCCn1ccc2cc(NC(=O)c3ccnc(Cl)c3)ccc21
InChIInChI=1S/C17H16ClN3O/c1-2-8-21-9-6-12-10-14(3-4-15(12)21)20-17(22)13-5-7-19-16(18)11-13/h3-7,9-11H,2,8H2,1H3,(H,20,22)
InChIKeyBPWKIZIQTBEXAS-UHFFFAOYSA-N
MW313.79 g/mol
LogP4.35
Rot. Bonds4

About 2-chloro-N-(1-propylindol-5-yl)pyridine-4-carboxamide

2-chloro-N-(1-propylindol-5-yl)pyridine-4-carboxamide (PubChem CID 52806998) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 2-chloro-N-(1-propylindol-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(1-propylindol-5-yl)pyridine-4-carboxamide
PubChem CID52806998
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name2-chloro-N-(1-propylindol-5-yl)pyridine-4-carboxamide
SMILESCCCn1ccc2cc(NC(=O)c3ccnc(Cl)c3)ccc21
InChIInChI=1S/C17H16ClN3O/c1-2-8-21-9-6-12-10-14(3-4-15(12)21)20-17(22)13-5-7-19-16(18)11-13/h3-7,9-11H,2,8H2,1H3,(H,20,22)
InChIKeyBPWKIZIQTBEXAS-UHFFFAOYSA-N
XLogP4.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(1-propylindol-5-yl)-4-(tetrazol-1-yl)benzamide
CID 49498363
2-methylsulfanyl-N-(1-propylindol-5-yl)acetamide
CID 49498410
2-cyclopropyl-1,3-dioxo-N-(1-propylindol-5-yl)isoindole-5-carboxamide
CID 52806948
(2R)-2-methyl-1-methylsulfonyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-5-carboxamide
CID 52503351
3-(dimethylsulfamoyl)-4-methoxy-N-(1-propylindol-5-yl)benzamide
CID 49498527
2-chloro-N-[3-chloro-4-(diethylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 34746930
N-(1-propylindol-5-yl)-1H-indazole-3-carboxamide
CID 60607032
N-[1-(2-methoxyethyl)indol-5-yl]pyrazine-2-carboxamide
CID 51101814
2-chloro-N-(3-ethoxy-4-methoxyphenyl)pyridine-4-carboxamide
CID 60795263
1-(3-hydroxypropyl)-3-(1-propylindol-5-yl)urea
CID 110936400
4-amino-N-(1-propylindol-5-yl)butanamide;dihydrochloride
CID 119865627
2-chloro-N-(1-ethylpyrazol-4-yl)pyridine-4-carboxamide
CID 35277482

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-propylindol-5-yl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(1-propylindol-5-yl)pyridine-4-carboxamide (CID 52806998) is 2-chloro-N-(1-propylindol-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(1-propylindol-5-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(1-propylindol-5-yl)pyridine-4-carboxamide is CCCn1ccc2cc(NC(=O)c3ccnc(Cl)c3)ccc21.
What is the InChIKey of 2-chloro-N-(1-propylindol-5-yl)pyridine-4-carboxamide?
The InChIKey is BPWKIZIQTBEXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-2-8-21-9-6-12-10-14(3-4-15(12)21)20-17(22)13-5-7-19-16(18)11-13/h3-7,9-11H,2,8H2,1H3,(H,20,22).
What are the key properties of 2-chloro-N-(1-propylindol-5-yl)pyridine-4-carboxamide?
2-chloro-N-(1-propylindol-5-yl)pyridine-4-carboxamide has a molecular weight of 313.79 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-propylindol-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 52806998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).