N-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide

C19H16FN3O2 — CID 95907078

IUPACN-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N[C@H](c2ccc(F)cc2)c2ccccn2)c[nH]1
InChIInChI=1S/C19H16FN3O2/c1-12-10-17(24)15(11-22-12)19(25)23-18(16-4-2-3-9-21-16)13-5-7-14(20)8-6-13/h2-11,18H,1H3,(H,22,24)(H,23,25)/t18-/m1/s1
InChIKeyDMFHGYNCDMBOAE-GOSISDBHSA-N
MW337.35 g/mol
LogP2.74
Rot. Bonds4

About N-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide

N-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 95907078) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is N-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID95907078
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC NameN-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N[C@H](c2ccc(F)cc2)c2ccccn2)c[nH]1
InChIInChI=1S/C19H16FN3O2/c1-12-10-17(24)15(11-22-12)19(25)23-18(16-4-2-3-9-21-16)13-5-7-14(20)8-6-13/h2-11,18H,1H3,(H,22,24)(H,23,25)/t18-/m1/s1
InChIKeyDMFHGYNCDMBOAE-GOSISDBHSA-N
XLogP2.74
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-difluoro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide
CID 51885946
2-methyl-N-[phenyl(pyridin-2-yl)methyl]furan-3-carboxamide
CID 46554509
6-methyl-4-oxo-N-[(1S)-1-phenylethyl]-1H-pyridine-3-carboxamide
CID 103718004
6-oxo-N-[(S)-phenyl(pyridin-2-yl)methyl]-1H-pyridine-3-carboxamide
CID 95568756
1-methyl-2-oxo-N-[(R)-phenyl(pyridin-2-yl)methyl]pyridine-4-carboxamide
CID 94001377
2,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide
CID 78779504
6-oxo-N-[(S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 71144853
N-[phenyl(pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 44765282
6-oxo-N-[phenyl(pyridin-2-yl)methyl]-1H-pyridazine-3-carboxamide
CID 43008369
3-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-1,1-bis(prop-2-enyl)urea
CID 95327051
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 33431970
2,4-dimethoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 44765343

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 95907078) is N-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)N[C@H](c2ccc(F)cc2)c2ccccn2)c[nH]1.
What is the InChIKey of N-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is DMFHGYNCDMBOAE-GOSISDBHSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-12-10-17(24)15(11-22-12)19(25)23-18(16-4-2-3-9-21-16)13-5-7-14(20)8-6-13/h2-11,18H,1H3,(H,22,24)(H,23,25)/t18-/m1/s1.
What are the key properties of N-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 337.35 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 95907078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).