N-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

C19H22FN3O2 — CID 95980409

IUPACN-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)c(=O)[nH]1
InChIInChI=1S/C19H22FN3O2/c1-12-9-13(2)21-18(24)17(12)19(25)22-15-6-4-8-23(11-15)16-7-3-5-14(20)10-16/h3,5,7,9-10,15H,4,6,8,11H2,1-2H3,(H,21,24)(H,22,25)/t15-/m0/s1
InChIKeyPRVYNVGUGXEKPR-HNNXBMFYSA-N
MW343.40 g/mol
LogP2.53
Rot. Bonds3

About N-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

N-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 95980409) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID95980409
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC NameN-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)c(=O)[nH]1
InChIInChI=1S/C19H22FN3O2/c1-12-9-13(2)21-18(24)17(12)19(25)22-15-6-4-8-23(11-15)16-7-3-5-14(20)10-16/h3,5,7,9-10,15H,4,6,8,11H2,1-2H3,(H,21,24)(H,22,25)/t15-/m0/s1
InChIKeyPRVYNVGUGXEKPR-HNNXBMFYSA-N
XLogP2.53
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

N-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazolidine-4-carboxamide
CID 119884186
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-(2-methoxyethylamino)acetamide
CID 119884178
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methylquinoline-3-carboxamide
CID 86961456
N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 25374475
3-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119884134
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119884155
4-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]pentanamide;dihydrochloride
CID 120565548
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 110478479
1-[[1-(3-fluorophenyl)piperidin-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122820
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-[2-(methanesulfonamido)phenyl]acetamide
CID 86962189
N-[1-(3-fluorophenyl)piperidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119884129
2-(aminomethyl)-N-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119884161

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (CID 95980409) is N-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(C)c(C(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)c(=O)[nH]1.
What is the InChIKey of N-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is PRVYNVGUGXEKPR-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-12-9-13(2)21-18(24)17(12)19(25)22-15-6-4-8-23(11-15)16-7-3-5-14(20)10-16/h3,5,7,9-10,15H,4,6,8,11H2,1-2H3,(H,21,24)(H,22,25)/t15-/m0/s1.
What are the key properties of N-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
N-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 95980409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).