4-(2,6-difluorophenyl)-N-[4-(piperazine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide

C22H19F2N5O2 — CID 71609257

IUPAC4-(2,6-difluorophenyl)-N-[4-(piperazine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1C(=O)N1CCNCC1)c1cc(-c2c(F)cccc2F)ccn1
InChIInChI=1S/C22H19F2N5O2/c23-16-2-1-3-17(24)20(16)14-4-7-27-18(12-14)21(30)28-19-13-26-6-5-15(19)22(31)29-10-8-25-9-11-29/h1-7,12-13,25H,8-11H2,(H,28,30)
InChIKeyAXFUSQCVPXTTLK-UHFFFAOYSA-N
MW423.42 g/mol
LogP2.72
Rot. Bonds4

About 4-(2,6-difluorophenyl)-N-[4-(piperazine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide

4-(2,6-difluorophenyl)-N-[4-(piperazine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 71609257) has the molecular formula C22H19F2N5O2 and a molecular weight of 423.42 g/mol. Its IUPAC name is 4-(2,6-difluorophenyl)-N-[4-(piperazine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2,6-difluorophenyl)-N-[4-(piperazine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide
PubChem CID71609257
Molecular FormulaC22H19F2N5O2
Molecular Weight423.42 g/mol
Exact Mass423.15
IUPAC Name4-(2,6-difluorophenyl)-N-[4-(piperazine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1C(=O)N1CCNCC1)c1cc(-c2c(F)cccc2F)ccn1
InChIInChI=1S/C22H19F2N5O2/c23-16-2-1-3-17(24)20(16)14-4-7-27-18(12-14)21(30)28-19-13-26-6-5-15(19)22(31)29-10-8-25-9-11-29/h1-7,12-13,25H,8-11H2,(H,28,30)
InChIKeyAXFUSQCVPXTTLK-UHFFFAOYSA-N
XLogP2.72
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(2,6-difluorophenyl)-N-[4-(piperazine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[4-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide;ethane
CID 144524844
(3-chloro-4-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride
CID 119402073
N-[3-(4-aminopiperidine-1-carbonyl)-4-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 177371019
6-(2,6-difluorophenyl)-N-[4-(5-hydroxy-3,4,7,8-tetrahydro-1H-isoquinoline-2-carbonyl)-3-pyridinyl]pyridine-2-carboxamide
CID 163599797
N-(4-piperazin-1-yl-3-pyridinyl)-6-pyridin-4-ylpyridine-2-carboxamide
CID 25176181
2-[(2-fluorophenyl)carbamoylamino]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 59569228
(4-methyl-3-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride
CID 119401446
N-(2,6-difluorophenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081186
(3-fluoro-2-sulfanylphenyl)-piperazin-1-ylmethanone
CID 82511301
6-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxy-3-pyridinyl)pyridine-2-carboxamide
CID 71262676
(5-chloro-2-fluorophenyl)-piperazin-1-ylmethanone
CID 16769233
3-[(2-bromo-6-fluorobenzoyl)amino]pyridine-4-carboxylic acid
CID 114558544

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorophenyl)-N-[4-(piperazine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 4-(2,6-difluorophenyl)-N-[4-(piperazine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide (CID 71609257) is 4-(2,6-difluorophenyl)-N-[4-(piperazine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(2,6-difluorophenyl)-N-[4-(piperazine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(2,6-difluorophenyl)-N-[4-(piperazine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide is O=C(Nc1cnccc1C(=O)N1CCNCC1)c1cc(-c2c(F)cccc2F)ccn1.
What is the InChIKey of 4-(2,6-difluorophenyl)-N-[4-(piperazine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is AXFUSQCVPXTTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O2/c23-16-2-1-3-17(24)20(16)14-4-7-27-18(12-14)21(30)28-19-13-26-6-5-15(19)22(31)29-10-8-25-9-11-29/h1-7,12-13,25H,8-11H2,(H,28,30).
What are the key properties of 4-(2,6-difluorophenyl)-N-[4-(piperazine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide?
4-(2,6-difluorophenyl)-N-[4-(piperazine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 423.42 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluorophenyl)-N-[4-(piperazine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 71609257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).