4-(3-fluoro-2-pyridinyl)-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide

C17H20FN5O — CID 146123535

IUPAC4-(3-fluoro-2-pyridinyl)-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(c2ncccc2F)CC1)c1ccccn1
InChIInChI=1S/C17H20FN5O/c1-13(15-6-2-3-7-19-15)21-17(24)23-11-9-22(10-12-23)16-14(18)5-4-8-20-16/h2-8,13H,9-12H2,1H3,(H,21,24)
InChIKeyPBYGEBKURJKEMZ-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.21
Rot. Bonds3

About 4-(3-fluoro-2-pyridinyl)-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide

4-(3-fluoro-2-pyridinyl)-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide (PubChem CID 146123535) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is 4-(3-fluoro-2-pyridinyl)-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-fluoro-2-pyridinyl)-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
PubChem CID146123535
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC Name4-(3-fluoro-2-pyridinyl)-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(c2ncccc2F)CC1)c1ccccn1
InChIInChI=1S/C17H20FN5O/c1-13(15-6-2-3-7-19-15)21-17(24)23-11-9-22(10-12-23)16-14(18)5-4-8-20-16/h2-8,13H,9-12H2,1H3,(H,21,24)
InChIKeyPBYGEBKURJKEMZ-UHFFFAOYSA-N
XLogP2.21
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 113221669
4-methyl-N-(1-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 113223974
4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 55590669
4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide
CID 94054984
7-fluoro-N-(1-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 126778493
N-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108988786
1-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-3-phenylbutan-1-one
CID 84586134
N-[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 94659172
2-[1-(1-pyridin-2-ylethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64618419
(3R)-3-acetamido-N-[(1R)-1-pyridin-2-ylethyl]piperidine-1-carboxamide
CID 95152686
N-[2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 75393207
4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 10172493

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-pyridinyl)-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-fluoro-2-pyridinyl)-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide (CID 146123535) is 4-(3-fluoro-2-pyridinyl)-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-fluoro-2-pyridinyl)-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-fluoro-2-pyridinyl)-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide is CC(NC(=O)N1CCN(c2ncccc2F)CC1)c1ccccn1.
What is the InChIKey of 4-(3-fluoro-2-pyridinyl)-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide?
The InChIKey is PBYGEBKURJKEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O/c1-13(15-6-2-3-7-19-15)21-17(24)23-11-9-22(10-12-23)16-14(18)5-4-8-20-16/h2-8,13H,9-12H2,1H3,(H,21,24).
What are the key properties of 4-(3-fluoro-2-pyridinyl)-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide?
4-(3-fluoro-2-pyridinyl)-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-pyridinyl)-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 146123535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).