4-(5-chloro-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide

C15H15ClFN5O — CID 75506359

IUPAC4-(5-chloro-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccncc1F)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C15H15ClFN5O/c16-11-1-2-14(19-9-11)21-5-7-22(8-6-21)15(23)20-13-3-4-18-10-12(13)17/h1-4,9-10H,5-8H2,(H,18,20,23)
InChIKeyCVBQVOCYWKBHTF-UHFFFAOYSA-N
MW335.77 g/mol
LogP2.62
Rot. Bonds2

About 4-(5-chloro-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide

4-(5-chloro-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide (PubChem CID 75506359) has the molecular formula C15H15ClFN5O and a molecular weight of 335.77 g/mol. Its IUPAC name is 4-(5-chloro-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide
PubChem CID75506359
Molecular FormulaC15H15ClFN5O
Molecular Weight335.77 g/mol
Exact Mass335.09
IUPAC Name4-(5-chloro-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccncc1F)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C15H15ClFN5O/c16-11-1-2-14(19-9-11)21-5-7-22(8-6-21)15(23)20-13-3-4-18-10-12(13)17/h1-4,9-10H,5-8H2,(H,18,20,23)
InChIKeyCVBQVOCYWKBHTF-UHFFFAOYSA-N
XLogP2.62
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide
CID 103886195
4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 66765224
4-(5-chloro-2-pyridinyl)-N-(2,3-dimethylbutyl)piperazine-1-carboxamide
CID 75464207
N-(2-chlorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 55351597
[4-(5-chloro-2-pyridinyl)-1,4-diazepan-1-yl]-pyridin-3-ylmethanone
CID 138809682
N-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide
CID 2746538
1-azabicyclo[2.2.2]octan-2-yl-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 138806991
4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 96519241
(3R)-N-(3-fluoro-4-pyridinyl)-3-(1H-imidazol-2-yl)-4-methylpiperazine-1-carboxamide
CID 129333410
N-(2,6-difluorophenyl)-4-[5-[(2-fluorophenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxamide
CID 69454094
4-(5-fluoro-2-pyridinyl)-N-(5-hydroxypyrimidin-2-yl)piperazine-1-carboxamide
CID 142622772
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4,4-difluorocyclohexyl)methanone
CID 122156291

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of 4-(5-chloro-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide (CID 75506359) is 4-(5-chloro-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-chloro-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(5-chloro-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide is O=C(Nc1ccncc1F)N1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of 4-(5-chloro-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide?
The InChIKey is CVBQVOCYWKBHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN5O/c16-11-1-2-14(19-9-11)21-5-7-22(8-6-21)15(23)20-13-3-4-18-10-12(13)17/h1-4,9-10H,5-8H2,(H,18,20,23).
What are the key properties of 4-(5-chloro-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide?
4-(5-chloro-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide has a molecular weight of 335.77 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 75506359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).