1-[5-[(3-methylbenzoyl)amino]-2-pyridinyl]-N-prop-2-enylpiperidine-3-carboxamide

C22H26N4O2 — CID 46397117

IUPAC1-[5-[(3-methylbenzoyl)amino]-2-pyridinyl]-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCNC(=O)C1CCCN(c2ccc(NC(=O)c3cccc(C)c3)cn2)C1
InChIInChI=1S/C22H26N4O2/c1-3-11-23-21(27)18-8-5-12-26(15-18)20-10-9-19(14-24-20)25-22(28)17-7-4-6-16(2)13-17/h3-4,6-7,9-10,13-14,18H,1,5,8,11-12,15H2,2H3,(H,23,27)(H,25,28)
InChIKeySBJLPVGQOMHOHP-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.16
Rot. Bonds6

About 1-[5-[(3-methylbenzoyl)amino]-2-pyridinyl]-N-prop-2-enylpiperidine-3-carboxamide

1-[5-[(3-methylbenzoyl)amino]-2-pyridinyl]-N-prop-2-enylpiperidine-3-carboxamide (PubChem CID 46397117) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[5-[(3-methylbenzoyl)amino]-2-pyridinyl]-N-prop-2-enylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-[(3-methylbenzoyl)amino]-2-pyridinyl]-N-prop-2-enylpiperidine-3-carboxamide
PubChem CID46397117
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-[5-[(3-methylbenzoyl)amino]-2-pyridinyl]-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCNC(=O)C1CCCN(c2ccc(NC(=O)c3cccc(C)c3)cn2)C1
InChIInChI=1S/C22H26N4O2/c1-3-11-23-21(27)18-8-5-12-26(15-18)20-10-9-19(14-24-20)25-22(28)17-7-4-6-16(2)13-17/h3-4,6-7,9-10,13-14,18H,1,5,8,11-12,15H2,2H3,(H,23,27)(H,25,28)
InChIKeySBJLPVGQOMHOHP-UHFFFAOYSA-N
XLogP3.16
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[5-(prop-2-enylcarbamoyl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 120964835
3-methyl-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 113014298
ethyl 4-[5-[(3-methylbenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 113014225
1-[5-[(3-cyanobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 86988880
N-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607875
3-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298426
1-(3,5-dimethylbenzoyl)-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide
CID 138996186
3-methyl-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 46157259
1-[5-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 86962982
1-N-(3-methylphenyl)-3-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1,3-dicarboxamide
CID 55820207
1-[5-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55970708
N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 55968404

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-methylbenzoyl)amino]-2-pyridinyl]-N-prop-2-enylpiperidine-3-carboxamide?
The IUPAC name of 1-[5-[(3-methylbenzoyl)amino]-2-pyridinyl]-N-prop-2-enylpiperidine-3-carboxamide (CID 46397117) is 1-[5-[(3-methylbenzoyl)amino]-2-pyridinyl]-N-prop-2-enylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[5-[(3-methylbenzoyl)amino]-2-pyridinyl]-N-prop-2-enylpiperidine-3-carboxamide?
The canonical SMILES for 1-[5-[(3-methylbenzoyl)amino]-2-pyridinyl]-N-prop-2-enylpiperidine-3-carboxamide is C=CCNC(=O)C1CCCN(c2ccc(NC(=O)c3cccc(C)c3)cn2)C1.
What is the InChIKey of 1-[5-[(3-methylbenzoyl)amino]-2-pyridinyl]-N-prop-2-enylpiperidine-3-carboxamide?
The InChIKey is SBJLPVGQOMHOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-3-11-23-21(27)18-8-5-12-26(15-18)20-10-9-19(14-24-20)25-22(28)17-7-4-6-16(2)13-17/h3-4,6-7,9-10,13-14,18H,1,5,8,11-12,15H2,2H3,(H,23,27)(H,25,28).
What are the key properties of 1-[5-[(3-methylbenzoyl)amino]-2-pyridinyl]-N-prop-2-enylpiperidine-3-carboxamide?
1-[5-[(3-methylbenzoyl)amino]-2-pyridinyl]-N-prop-2-enylpiperidine-3-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-methylbenzoyl)amino]-2-pyridinyl]-N-prop-2-enylpiperidine-3-carboxamide is sourced from PubChem (CID 46397117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).