3-chloro-N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide

C17H15ClF2N2O2 — CID 95905058

IUPAC3-chloro-N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide
SMILESO=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)c1ccncc1Cl
InChIInChI=1S/C17H15ClF2N2O2/c18-14-9-21-7-6-13(14)16(23)22-15-3-1-2-10-8-11(24-17(19)20)4-5-12(10)15/h4-9,15,17H,1-3H2,(H,22,23)/t15-/m0/s1
InChIKeyBCKKSKFFCMQPGN-HNNXBMFYSA-N
MW352.77 g/mol
LogP4.14
Rot. Bonds4

About 3-chloro-N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide

3-chloro-N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide (PubChem CID 95905058) has the molecular formula C17H15ClF2N2O2 and a molecular weight of 352.77 g/mol. Its IUPAC name is 3-chloro-N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide
PubChem CID95905058
Molecular FormulaC17H15ClF2N2O2
Molecular Weight352.77 g/mol
Exact Mass352.08
IUPAC Name3-chloro-N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide
SMILESO=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)c1ccncc1Cl
InChIInChI=1S/C17H15ClF2N2O2/c18-14-9-21-7-6-13(14)16(23)22-15-3-1-2-10-8-11(24-17(19)20)4-5-12(10)15/h4-9,15,17H,1-3H2,(H,22,23)/t15-/m0/s1
InChIKeyBCKKSKFFCMQPGN-HNNXBMFYSA-N
XLogP4.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.77
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide with MolForge

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Related Compounds

N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-ethylpyridine-4-carboxamide
CID 75437261
N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 94829222
2-chloro-N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 94866345
4-(aminomethyl)-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide;hydrochloride
CID 119310224
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 119310217
N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 95346205
N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 94829246
1-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119310236
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
CID 60605486
4-chloro-2-fluoro-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 97429752
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxo-3H-pyrido[3,4-d]pyrimidine-6-carboxamide
CID 136533245
N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide
CID 94826773

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide (CID 95905058) is 3-chloro-N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide is O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide?
The InChIKey is BCKKSKFFCMQPGN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H15ClF2N2O2/c18-14-9-21-7-6-13(14)16(23)22-15-3-1-2-10-8-11(24-17(19)20)4-5-12(10)15/h4-9,15,17H,1-3H2,(H,22,23)/t15-/m0/s1.
What are the key properties of 3-chloro-N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide?
3-chloro-N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide has a molecular weight of 352.77 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 95905058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).