6-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(methylamino)pyridine-3-carboxamide

C16H15ClFN3O — CID 140712069

IUPAC6-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1nc([C@@H]2CCc3c(F)cc(Cl)cc32)ccc1C(N)=O
InChIInChI=1S/C16H15ClFN3O/c1-20-16-11(15(19)22)4-5-14(21-16)10-3-2-9-12(10)6-8(17)7-13(9)18/h4-7,10H,2-3H2,1H3,(H2,19,22)(H,20,21)/t10-/m1/s1
InChIKeyOAZDHHAGFPKXSO-SNVBAGLBSA-N
MW319.77 g/mol
LogP3.09
Rot. Bonds3

About 6-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(methylamino)pyridine-3-carboxamide

6-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(methylamino)pyridine-3-carboxamide (PubChem CID 140712069) has the molecular formula C16H15ClFN3O and a molecular weight of 319.77 g/mol. Its IUPAC name is 6-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(methylamino)pyridine-3-carboxamide
PubChem CID140712069
Molecular FormulaC16H15ClFN3O
Molecular Weight319.77 g/mol
Exact Mass319.09
IUPAC Name6-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1nc([C@@H]2CCc3c(F)cc(Cl)cc32)ccc1C(N)=O
InChIInChI=1S/C16H15ClFN3O/c1-20-16-11(15(19)22)4-5-14(21-16)10-3-2-9-12(10)6-8(17)7-13(9)18/h4-7,10H,2-3H2,1H3,(H2,19,22)(H,20,21)/t10-/m1/s1
InChIKeyOAZDHHAGFPKXSO-SNVBAGLBSA-N
XLogP3.09
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 140712230
3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-propan-2-yloxybenzamide
CID 140712188
3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,2-oxazole-5-carboxamide
CID 140712077
7-(4-chloro-2-fluorophenyl)-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
CID 141338260
N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylpyridine-3-carboxamide
CID 144743692
N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide
CID 141420905
N-[(2-carbamoylphenyl)methyl]-3-chloro-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 118935502
N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
CID 118935355
N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 118936149
N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroxybenzamide
CID 142729740
benzyl 4-carbamoyl-3-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]benzoate
CID 140712243
N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-3-methylbenzamide
CID 118935505

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(methylamino)pyridine-3-carboxamide?
The IUPAC name of 6-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(methylamino)pyridine-3-carboxamide (CID 140712069) is 6-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(methylamino)pyridine-3-carboxamide is CNc1nc([C@@H]2CCc3c(F)cc(Cl)cc32)ccc1C(N)=O.
What is the InChIKey of 6-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(methylamino)pyridine-3-carboxamide?
The InChIKey is OAZDHHAGFPKXSO-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15ClFN3O/c1-20-16-11(15(19)22)4-5-14(21-16)10-3-2-9-12(10)6-8(17)7-13(9)18/h4-7,10H,2-3H2,1H3,(H2,19,22)(H,20,21)/t10-/m1/s1.
What are the key properties of 6-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(methylamino)pyridine-3-carboxamide?
6-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(methylamino)pyridine-3-carboxamide has a molecular weight of 319.77 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 140712069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).