N-(3,4-difluorophenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide

C18H18F2N4O2 — CID 109104531

IUPACN-(3,4-difluorophenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
SMILESCN1CCN(C(=O)c2cncc(C(=O)Nc3ccc(F)c(F)c3)c2)CC1
InChIInChI=1S/C18H18F2N4O2/c1-23-4-6-24(7-5-23)18(26)13-8-12(10-21-11-13)17(25)22-14-2-3-15(19)16(20)9-14/h2-3,8-11H,4-7H2,1H3,(H,22,25)
InChIKeyRPTSHOAUCQKVNH-UHFFFAOYSA-N
MW360.36 g/mol
LogP2.00
Rot. Bonds3

About N-(3,4-difluorophenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide

N-(3,4-difluorophenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide (PubChem CID 109104531) has the molecular formula C18H18F2N4O2 and a molecular weight of 360.36 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
PubChem CID109104531
Molecular FormulaC18H18F2N4O2
Molecular Weight360.36 g/mol
Exact Mass360.14
IUPAC NameN-(3,4-difluorophenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
SMILESCN1CCN(C(=O)c2cncc(C(=O)Nc3ccc(F)c(F)c3)c2)CC1
InChIInChI=1S/C18H18F2N4O2/c1-23-4-6-24(7-5-23)18(26)13-8-12(10-21-11-13)17(25)22-14-2-3-15(19)16(20)9-14/h2-3,8-11H,4-7H2,1H3,(H,22,25)
InChIKeyRPTSHOAUCQKVNH-UHFFFAOYSA-N
XLogP2.00
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-acetylpiperazine-1-carbonyl)-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 109104830
[5-(3,4-difluoroanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230234
methyl 4-[[5-(4-methylpiperazine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate
CID 109104507
N-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104452
N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104512
N-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102585
N-(3,4-difluorophenyl)-4-methylpiperazine-1-carboxamide
CID 21019691
N-(4-acetamidophenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102613
3-N-(3,4-difluorophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101520
N-(4-chlorophenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103238
N-(3,4-difluorophenyl)-5-hydroxypyridine-3-carboxamide
CID 63864937
N-(3,4-difluorophenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide
CID 109046325

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide (CID 109104531) is N-(3,4-difluorophenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide is CN1CCN(C(=O)c2cncc(C(=O)Nc3ccc(F)c(F)c3)c2)CC1.
What is the InChIKey of N-(3,4-difluorophenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The InChIKey is RPTSHOAUCQKVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O2/c1-23-4-6-24(7-5-23)18(26)13-8-12(10-21-11-13)17(25)22-14-2-3-15(19)16(20)9-14/h2-3,8-11H,4-7H2,1H3,(H,22,25).
What are the key properties of N-(3,4-difluorophenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide?
N-(3,4-difluorophenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide has a molecular weight of 360.36 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 109104531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).