2-chloro-N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]pyridine-4-carboxamide

C20H22ClN3O — CID 25380061

IUPAC2-chloro-N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]pyridine-4-carboxamide
SMILESO=C(N[C@@H]1CCCN(C2Cc3ccccc3C2)C1)c1ccnc(Cl)c1
InChIInChI=1S/C20H22ClN3O/c21-19-12-16(7-8-22-19)20(25)23-17-6-3-9-24(13-17)18-10-14-4-1-2-5-15(14)11-18/h1-2,4-5,7-8,12,17-18H,3,6,9-11,13H2,(H,23,25)/t17-/m1/s1
InChIKeyIFKHTZFZEAXVSC-QGZVFWFLSA-N
MW355.87 g/mol
LogP3.10
Rot. Bonds3

About 2-chloro-N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]pyridine-4-carboxamide

2-chloro-N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]pyridine-4-carboxamide (PubChem CID 25380061) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is 2-chloro-N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]pyridine-4-carboxamide
PubChem CID25380061
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name2-chloro-N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]pyridine-4-carboxamide
SMILESO=C(N[C@@H]1CCCN(C2Cc3ccccc3C2)C1)c1ccnc(Cl)c1
InChIInChI=1S/C20H22ClN3O/c21-19-12-16(7-8-22-19)20(25)23-17-6-3-9-24(13-17)18-10-14-4-1-2-5-15(14)11-18/h1-2,4-5,7-8,12,17-18H,3,6,9-11,13H2,(H,23,25)/t17-/m1/s1
InChIKeyIFKHTZFZEAXVSC-QGZVFWFLSA-N
XLogP3.10
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 53.10
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

N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 42457609
N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-chloropyridine-4-carboxamide
CID 56750459
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 45209259
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 45190473
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)pyridine-4-carboxamide
CID 62161092
2-chloro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide
CID 32694198
2-chloro-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]benzamide
CID 30851817
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-phenoxypropanamide
CID 45200396
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-[(dimethylamino)methyl]furan-2-carboxamide
CID 45193739
3-[(2-chloropyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 103932881
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 45191724
(3R)-1-(2,3-dihydro-1H-inden-2-yl)-N-phenylpiperidin-3-amine
CID 26397977

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]pyridine-4-carboxamide (CID 25380061) is 2-chloro-N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]pyridine-4-carboxamide is O=C(N[C@@H]1CCCN(C2Cc3ccccc3C2)C1)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]pyridine-4-carboxamide?
The InChIKey is IFKHTZFZEAXVSC-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22ClN3O/c21-19-12-16(7-8-22-19)20(25)23-17-6-3-9-24(13-17)18-10-14-4-1-2-5-15(14)11-18/h1-2,4-5,7-8,12,17-18H,3,6,9-11,13H2,(H,23,25)/t17-/m1/s1.
What are the key properties of 2-chloro-N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]pyridine-4-carboxamide?
2-chloro-N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]pyridine-4-carboxamide has a molecular weight of 355.87 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 25380061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).