N-[(1R,2R)-7-cyano-2-hydroxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-1-yl]pyridine-3-carboxamide

C19H17N3O3 — CID 14957766

IUPACN-[(1R,2R)-7-cyano-2-hydroxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-1-yl]pyridine-3-carboxamide
SMILESCC1(C)C(=O)c2ccc(C#N)cc2[C@@H](NC(=O)c2cccnc2)[C@@H]1O
InChIInChI=1S/C19H17N3O3/c1-19(2)16(23)13-6-5-11(9-20)8-14(13)15(17(19)24)22-18(25)12-4-3-7-21-10-12/h3-8,10,15,17,24H,1-2H3,(H,22,25)/t15-,17+/m1/s1
InChIKeyCQCYEPGUBMOZLF-WBVHZDCISA-N
MW335.36 g/mol
LogP2.01
Rot. Bonds2

About N-[(1R,2R)-7-cyano-2-hydroxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-1-yl]pyridine-3-carboxamide

N-[(1R,2R)-7-cyano-2-hydroxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-1-yl]pyridine-3-carboxamide (PubChem CID 14957766) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-[(1R,2R)-7-cyano-2-hydroxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-7-cyano-2-hydroxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-1-yl]pyridine-3-carboxamide
PubChem CID14957766
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-[(1R,2R)-7-cyano-2-hydroxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-1-yl]pyridine-3-carboxamide
SMILESCC1(C)C(=O)c2ccc(C#N)cc2[C@@H](NC(=O)c2cccnc2)[C@@H]1O
InChIInChI=1S/C19H17N3O3/c1-19(2)16(23)13-6-5-11(9-20)8-14(13)15(17(19)24)22-18(25)12-4-3-7-21-10-12/h3-8,10,15,17,24H,1-2H3,(H,22,25)/t15-,17+/m1/s1
InChIKeyCQCYEPGUBMOZLF-WBVHZDCISA-N
XLogP2.01
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl]pyridine-3-carboxamide
CID 54023580
N-(2-amino-4-cyanophenyl)pyridine-3-carboxamide
CID 78965630
[[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-(pyridine-3-carbonyl)amino] benzoate
CID 18645536
N-methylpyridine-3-carboxamide chloride
CID 20976730
N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(2-methyl-4-pyridinyl)-3,4-dihydrochromen-4-yl]pyridine-3-carboxamide;sulfane
CID 158402321
N-[(3R,5S)-3,5-dimethyl-1-adamantyl]pyridine-3-carboxamide
CID 71510461
N-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-nitrobenzamide
CID 67556249
N-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-nitrobenzamide
CID 54279366
N'-(3,5-dimethyladamantane-1-carbonyl)pyridine-3-carbohydrazide
CID 3315534
N-[(E)-(4-cyanophenyl)methylideneamino]pyridine-3-carboxamide
CID 6895632
N-(oxetan-3-yl)pyridine-3-carboxamide
CID 66910448
N-(7-cyano-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl)benzamide
CID 54111455

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-7-cyano-2-hydroxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(1R,2R)-7-cyano-2-hydroxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-1-yl]pyridine-3-carboxamide (CID 14957766) is N-[(1R,2R)-7-cyano-2-hydroxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-7-cyano-2-hydroxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-7-cyano-2-hydroxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-1-yl]pyridine-3-carboxamide is CC1(C)C(=O)c2ccc(C#N)cc2[C@@H](NC(=O)c2cccnc2)[C@@H]1O.
What is the InChIKey of N-[(1R,2R)-7-cyano-2-hydroxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-1-yl]pyridine-3-carboxamide?
The InChIKey is CQCYEPGUBMOZLF-WBVHZDCISA-N. The full InChI is InChI=1S/C19H17N3O3/c1-19(2)16(23)13-6-5-11(9-20)8-14(13)15(17(19)24)22-18(25)12-4-3-7-21-10-12/h3-8,10,15,17,24H,1-2H3,(H,22,25)/t15-,17+/m1/s1.
What are the key properties of N-[(1R,2R)-7-cyano-2-hydroxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-1-yl]pyridine-3-carboxamide?
N-[(1R,2R)-7-cyano-2-hydroxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-1-yl]pyridine-3-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-7-cyano-2-hydroxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 14957766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).