2-[(3-fluorophenyl)methyl]-N-[(3R)-2-oxopiperidin-3-yl]pyridine-4-carboxamide

C18H18FN3O2 — CID 125017627

IUPAC2-[(3-fluorophenyl)methyl]-N-[(3R)-2-oxopiperidin-3-yl]pyridine-4-carboxamide
SMILESO=C(N[C@@H]1CCCNC1=O)c1ccnc(Cc2cccc(F)c2)c1
InChIInChI=1S/C18H18FN3O2/c19-14-4-1-3-12(9-14)10-15-11-13(6-8-20-15)17(23)22-16-5-2-7-21-18(16)24/h1,3-4,6,8-9,11,16H,2,5,7,10H2,(H,21,24)(H,22,23)/t16-/m1/s1
InChIKeyXITRCIHQERFFII-MRXNPFEDSA-N
MW327.36 g/mol
LogP1.82
Rot. Bonds4

About 2-[(3-fluorophenyl)methyl]-N-[(3R)-2-oxopiperidin-3-yl]pyridine-4-carboxamide

2-[(3-fluorophenyl)methyl]-N-[(3R)-2-oxopiperidin-3-yl]pyridine-4-carboxamide (PubChem CID 125017627) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-N-[(3R)-2-oxopiperidin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-N-[(3R)-2-oxopiperidin-3-yl]pyridine-4-carboxamide
PubChem CID125017627
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name2-[(3-fluorophenyl)methyl]-N-[(3R)-2-oxopiperidin-3-yl]pyridine-4-carboxamide
SMILESO=C(N[C@@H]1CCCNC1=O)c1ccnc(Cc2cccc(F)c2)c1
InChIInChI=1S/C18H18FN3O2/c19-14-4-1-3-12(9-14)10-15-11-13(6-8-20-15)17(23)22-16-5-2-7-21-18(16)24/h1,3-4,6,8-9,11,16H,2,5,7,10H2,(H,21,24)(H,22,23)/t16-/m1/s1
InChIKeyXITRCIHQERFFII-MRXNPFEDSA-N
XLogP1.82
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 114326439
2-(aminomethyl)-N-(2-oxoazepan-3-yl)pyridine-4-carboxamide
CID 114325785
2-[(2-methoxyphenyl)methyl]-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 110090697
2-[(2-methoxyphenyl)methyl]-N-[(3R)-2-oxopiperidin-3-yl]pyridine-4-carboxamide
CID 125023469
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(3-fluorophenyl)methyl]pyridine-4-carboxamide
CID 124970015
3-(azepan-1-ylmethyl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide
CID 124752306
3-(5-fluoro-2-methylphenyl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide
CID 126429793
3-(3-fluorophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]propanamide
CID 92568904
2-[(3-fluorophenyl)methyl]-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide
CID 110111970
[(4aS,8aR)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]-[2-[(3-fluorophenyl)methyl]-4-pyridinyl]methanone
CID 110133490
3-[2-(3-fluorophenyl)ethylamino]azepan-2-one
CID 43420602
4-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]benzoic acid
CID 94349391

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-N-[(3R)-2-oxopiperidin-3-yl]pyridine-4-carboxamide?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-N-[(3R)-2-oxopiperidin-3-yl]pyridine-4-carboxamide (CID 125017627) is 2-[(3-fluorophenyl)methyl]-N-[(3R)-2-oxopiperidin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-N-[(3R)-2-oxopiperidin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-N-[(3R)-2-oxopiperidin-3-yl]pyridine-4-carboxamide is O=C(N[C@@H]1CCCNC1=O)c1ccnc(Cc2cccc(F)c2)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-N-[(3R)-2-oxopiperidin-3-yl]pyridine-4-carboxamide?
The InChIKey is XITRCIHQERFFII-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-14-4-1-3-12(9-14)10-15-11-13(6-8-20-15)17(23)22-16-5-2-7-21-18(16)24/h1,3-4,6,8-9,11,16H,2,5,7,10H2,(H,21,24)(H,22,23)/t16-/m1/s1.
What are the key properties of 2-[(3-fluorophenyl)methyl]-N-[(3R)-2-oxopiperidin-3-yl]pyridine-4-carboxamide?
2-[(3-fluorophenyl)methyl]-N-[(3R)-2-oxopiperidin-3-yl]pyridine-4-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-N-[(3R)-2-oxopiperidin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 125017627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).