N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide

C18H20N4O2 — CID 94646302

IUPACN-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
SMILESCN1CCN(C(=O)c2ccc(NC(=O)c3cccnc3)cc2)CC1
InChIInChI=1S/C18H20N4O2/c1-21-9-11-22(12-10-21)18(24)14-4-6-16(7-5-14)20-17(23)15-3-2-8-19-13-15/h2-8,13H,9-12H2,1H3,(H,20,23)
InChIKeyPJZZYZSCBZXNLK-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.72
Rot. Bonds3

About N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide

N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide (PubChem CID 94646302) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
PubChem CID94646302
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
SMILESCN1CCN(C(=O)c2ccc(NC(=O)c3cccnc3)cc2)CC1
InChIInChI=1S/C18H20N4O2/c1-21-9-11-22(12-10-21)18(24)14-4-6-16(7-5-14)20-17(23)15-3-2-8-19-13-15/h2-8,13H,9-12H2,1H3,(H,20,23)
InChIKeyPJZZYZSCBZXNLK-UHFFFAOYSA-N
XLogP1.72
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-cyclobutyl-1,4-diazepane-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 11164840
N-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046134
methyl 4-[[5-(4-methylpiperazine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate
CID 109104507
N-(4-acetamidophenyl)pyridine-3-carboxamide
CID 766053
N-propan-2-yl-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzamide
CID 136519238
2-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 119946776
3-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1-phenyl-1-pyrimidin-5-ylurea
CID 68640453
1-methyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea
CID 118087553
3,4-dimethoxy-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 94646312
N-(3,4-difluorophenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104531
N-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104452
N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 26157561

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide (CID 94646302) is N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide is CN1CCN(C(=O)c2ccc(NC(=O)c3cccnc3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide?
The InChIKey is PJZZYZSCBZXNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-21-9-11-22(12-10-21)18(24)14-4-6-16(7-5-14)20-17(23)15-3-2-8-19-13-15/h2-8,13H,9-12H2,1H3,(H,20,23).
What are the key properties of N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide?
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 94646302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).