(2S)-N-[(2S)-2-amino-2-(2,4-difluorophenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide

C20H22F2N4O2 — CID 99815454

IUPAC(2S)-N-[(2S)-2-amino-2-(2,4-difluorophenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide
SMILESN[C@H](CNC(=O)[C@@H]1CCCCN1C(=O)c1cccnc1)c1ccc(F)cc1F
InChIInChI=1S/C20H22F2N4O2/c21-14-6-7-15(16(22)10-14)17(23)12-25-19(27)18-5-1-2-9-26(18)20(28)13-4-3-8-24-11-13/h3-4,6-8,10-11,17-18H,1-2,5,9,12,23H2,(H,25,27)/t17-,18+/m1/s1
InChIKeyNZLCGDIPPYJORP-MSOLQXFVSA-N
MW388.42 g/mol
LogP2.17
Rot. Bonds5

About (2S)-N-[(2S)-2-amino-2-(2,4-difluorophenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide

(2S)-N-[(2S)-2-amino-2-(2,4-difluorophenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide (PubChem CID 99815454) has the molecular formula C20H22F2N4O2 and a molecular weight of 388.42 g/mol. Its IUPAC name is (2S)-N-[(2S)-2-amino-2-(2,4-difluorophenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-2-amino-2-(2,4-difluorophenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide
PubChem CID99815454
Molecular FormulaC20H22F2N4O2
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Name(2S)-N-[(2S)-2-amino-2-(2,4-difluorophenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide
SMILESN[C@H](CNC(=O)[C@@H]1CCCCN1C(=O)c1cccnc1)c1ccc(F)cc1F
InChIInChI=1S/C20H22F2N4O2/c21-14-6-7-15(16(22)10-14)17(23)12-25-19(27)18-5-1-2-9-26(18)20(28)13-4-3-8-24-11-13/h3-4,6-8,10-11,17-18H,1-2,5,9,12,23H2,(H,25,27)/t17-,18+/m1/s1
InChIKeyNZLCGDIPPYJORP-MSOLQXFVSA-N
XLogP2.17
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[(2S)-2-amino-2-(2,4-difluorophenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide with MolForge

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Related Compounds

methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 115280040
N-(2-amino-2-phenylethyl)-1-benzoylpyrrolidine-2-carboxamide;hydrochloride
CID 119529228
(4-methylpiperidin-1-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone
CID 119032862
[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038925
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038922
N-(cyclopropylmethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide
CID 134803506
[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]methanone
CID 97078426
1-(3-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 46757142
N-(2-cyclohexylethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide
CID 134801025
[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 84511159
(2R)-N-(1H-indazol-7-yl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide
CID 96509806
N-[(8Z,11Z,14Z,17Z,20Z)-4-oxotricosa-8,11,14,17,20-pentaenyl]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 162176760

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-2-amino-2-(2,4-difluorophenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2S)-2-amino-2-(2,4-difluorophenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide (CID 99815454) is (2S)-N-[(2S)-2-amino-2-(2,4-difluorophenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2S)-2-amino-2-(2,4-difluorophenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2S)-2-amino-2-(2,4-difluorophenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide is N[C@H](CNC(=O)[C@@H]1CCCCN1C(=O)c1cccnc1)c1ccc(F)cc1F.
What is the InChIKey of (2S)-N-[(2S)-2-amino-2-(2,4-difluorophenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide?
The InChIKey is NZLCGDIPPYJORP-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H22F2N4O2/c21-14-6-7-15(16(22)10-14)17(23)12-25-19(27)18-5-1-2-9-26(18)20(28)13-4-3-8-24-11-13/h3-4,6-8,10-11,17-18H,1-2,5,9,12,23H2,(H,25,27)/t17-,18+/m1/s1.
What are the key properties of (2S)-N-[(2S)-2-amino-2-(2,4-difluorophenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide?
(2S)-N-[(2S)-2-amino-2-(2,4-difluorophenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide has a molecular weight of 388.42 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-2-amino-2-(2,4-difluorophenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 99815454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).