N-(5-acetamido-2-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide

C19H23N5O2 — CID 86994575

IUPACN-(5-acetamido-2-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)N2CCN(c3ccncc3)CC2)c1
InChIInChI=1S/C19H23N5O2/c1-14-3-4-16(21-15(2)25)13-18(14)22-19(26)24-11-9-23(10-12-24)17-5-7-20-8-6-17/h3-8,13H,9-12H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyWRNCBQXMKLVVTI-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.70
Rot. Bonds3

About N-(5-acetamido-2-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide

N-(5-acetamido-2-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide (PubChem CID 86994575) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-(5-acetamido-2-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
PubChem CID86994575
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-(5-acetamido-2-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)N2CCN(c3ccncc3)CC2)c1
InChIInChI=1S/C19H23N5O2/c1-14-3-4-16(21-15(2)25)13-18(14)22-19(26)24-11-9-23(10-12-24)17-5-7-20-8-6-17/h3-8,13H,9-12H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyWRNCBQXMKLVVTI-UHFFFAOYSA-N
XLogP2.70
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-N-[3-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-4-methylphenyl]piperazine-1-carboxamide
CID 4087050
N-(5-acetamido-2-methylphenyl)morpholine-4-carboxamide
CID 47041767
N-(4-acetylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86920409
4-(4-fluorophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]piperazine-1-carboxamide
CID 47041624
N-(5-acetamido-2-methylphenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 55742297
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86988626
N-(3,4-dimethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986916
N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86987118
N-(4-acetamidophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111755
4-hydroxy-N-[3-[(4-hydroxypiperidine-1-carbonyl)amino]-4-methylphenyl]piperidine-1-carboxamide
CID 41296153
N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986398
N-(2-ethyl-6-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986479

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide?
The IUPAC name of N-(5-acetamido-2-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide (CID 86994575) is N-(5-acetamido-2-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide is CC(=O)Nc1ccc(C)c(NC(=O)N2CCN(c3ccncc3)CC2)c1.
What is the InChIKey of N-(5-acetamido-2-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide?
The InChIKey is WRNCBQXMKLVVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-14-3-4-16(21-15(2)25)13-18(14)22-19(26)24-11-9-23(10-12-24)17-5-7-20-8-6-17/h3-8,13H,9-12H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N-(5-acetamido-2-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide?
N-(5-acetamido-2-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide is sourced from PubChem (CID 86994575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).