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

C19H22N4O2 — CID 109104452

IUPACN-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cncc(C(=O)N3CCN(C)CC3)c2)c1
InChIInChI=1S/C19H22N4O2/c1-14-4-3-5-17(10-14)21-18(24)15-11-16(13-20-12-15)19(25)23-8-6-22(2)7-9-23/h3-5,10-13H,6-9H2,1-2H3,(H,21,24)
InChIKeyNYRSRFYEDTXUAT-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.03
Rot. Bonds3

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

N-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide (PubChem CID 109104452) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
PubChem CID109104452
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cncc(C(=O)N3CCN(C)CC3)c2)c1
InChIInChI=1S/C19H22N4O2/c1-14-4-3-5-17(10-14)21-18(24)15-11-16(13-20-12-15)19(25)23-8-6-22(2)7-9-23/h3-5,10-13H,6-9H2,1-2H3,(H,21,24)
InChIKeyNYRSRFYEDTXUAT-UHFFFAOYSA-N
XLogP2.03
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102907
3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26157849
N-(3,4-difluorophenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104531
N-(3-chloro-2-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104479
N-(3,5-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053558
methyl 4-[[5-(4-methylpiperazine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate
CID 109104507
N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104512
N-(3,5-dimethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102567
N-(3-acetamidophenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053601
N-(3-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225773
5-hydroxy-N-(3-methylphenyl)pyridine-3-carboxamide
CID 63865627
5-(4-methylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109104467

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide (CID 109104452) is N-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide is Cc1cccc(NC(=O)c2cncc(C(=O)N3CCN(C)CC3)c2)c1.
What is the InChIKey of N-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The InChIKey is NYRSRFYEDTXUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14-4-3-5-17(10-14)21-18(24)15-11-16(13-20-12-15)19(25)23-8-6-22(2)7-9-23/h3-5,10-13H,6-9H2,1-2H3,(H,21,24).
What are the key properties of N-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide?
N-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 109104452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).