N-[2-methyl-3-(methylcarbamoyl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide

C19H23N5O2 — CID 86988495

IUPACN-[2-methyl-3-(methylcarbamoyl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)N2CCN(c3ccncc3)CC2)c1C
InChIInChI=1S/C19H23N5O2/c1-14-16(18(25)20-2)4-3-5-17(14)22-19(26)24-12-10-23(11-13-24)15-6-8-21-9-7-15/h3-9H,10-13H2,1-2H3,(H,20,25)(H,22,26)
InChIKeyHYAOKOQHWKZNPF-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.10
Rot. Bonds3

About N-[2-methyl-3-(methylcarbamoyl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide

N-[2-methyl-3-(methylcarbamoyl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide (PubChem CID 86988495) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[2-methyl-3-(methylcarbamoyl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-(methylcarbamoyl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide
PubChem CID86988495
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-[2-methyl-3-(methylcarbamoyl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)N2CCN(c3ccncc3)CC2)c1C
InChIInChI=1S/C19H23N5O2/c1-14-16(18(25)20-2)4-3-5-17(14)22-19(26)24-12-10-23(11-13-24)15-6-8-21-9-7-15/h3-9H,10-13H2,1-2H3,(H,20,25)(H,22,26)
InChIKeyHYAOKOQHWKZNPF-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(butanoylamino)-2-methylphenyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 47750340
N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86987118
N-(5-acetamido-2-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86994575
N-(2-ethyl-6-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986479
(3R)-3-(2,5-dihydropyrrol-1-yl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]pyrrolidine-1-carboxamide
CID 98349320
N-(2,3-dimethylphenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111604
N-propyl-4-pyridin-4-ylpiperazine-1-carboxamide
CID 47117590
N-(4-acetylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86920409
N-(4-methyl-1,3-thiazol-2-yl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986799
N-(2,3-dimethylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 3839304
N-(1-methylpyrazol-3-yl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86916240
N-(4-fluoro-2-methoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86988601

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(methylcarbamoyl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide?
The IUPAC name of N-[2-methyl-3-(methylcarbamoyl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide (CID 86988495) is N-[2-methyl-3-(methylcarbamoyl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-methyl-3-(methylcarbamoyl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-methyl-3-(methylcarbamoyl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide is CNC(=O)c1cccc(NC(=O)N2CCN(c3ccncc3)CC2)c1C.
What is the InChIKey of N-[2-methyl-3-(methylcarbamoyl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide?
The InChIKey is HYAOKOQHWKZNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-14-16(18(25)20-2)4-3-5-17(14)22-19(26)24-12-10-23(11-13-24)15-6-8-21-9-7-15/h3-9H,10-13H2,1-2H3,(H,20,25)(H,22,26).
What are the key properties of N-[2-methyl-3-(methylcarbamoyl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide?
N-[2-methyl-3-(methylcarbamoyl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(methylcarbamoyl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide is sourced from PubChem (CID 86988495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).