1-[5-[(2-ethylphenyl)carbamoylamino]-2-pyridinyl]-N-methylpiperidine-3-carboxamide

C21H27N5O2 — CID 50842368

IUPAC1-[5-[(2-ethylphenyl)carbamoylamino]-2-pyridinyl]-N-methylpiperidine-3-carboxamide
SMILESCCc1ccccc1NC(=O)Nc1ccc(N2CCCC(C(=O)NC)C2)nc1
InChIInChI=1S/C21H27N5O2/c1-3-15-7-4-5-9-18(15)25-21(28)24-17-10-11-19(23-13-17)26-12-6-8-16(14-26)20(27)22-2/h4-5,7,9-11,13,16H,3,6,8,12,14H2,1-2H3,(H,22,27)(H2,24,25,28)
InChIKeyFKWIFRTVNVBFIV-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.25
Rot. Bonds5

About 1-[5-[(2-ethylphenyl)carbamoylamino]-2-pyridinyl]-N-methylpiperidine-3-carboxamide

1-[5-[(2-ethylphenyl)carbamoylamino]-2-pyridinyl]-N-methylpiperidine-3-carboxamide (PubChem CID 50842368) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-[5-[(2-ethylphenyl)carbamoylamino]-2-pyridinyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-[(2-ethylphenyl)carbamoylamino]-2-pyridinyl]-N-methylpiperidine-3-carboxamide
PubChem CID50842368
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name1-[5-[(2-ethylphenyl)carbamoylamino]-2-pyridinyl]-N-methylpiperidine-3-carboxamide
SMILESCCc1ccccc1NC(=O)Nc1ccc(N2CCCC(C(=O)NC)C2)nc1
InChIInChI=1S/C21H27N5O2/c1-3-15-7-4-5-9-18(15)25-21(28)24-17-10-11-19(23-13-17)26-12-6-8-16(14-26)20(27)22-2/h4-5,7,9-11,13,16H,3,6,8,12,14H2,1-2H3,(H,22,27)(H2,24,25,28)
InChIKeyFKWIFRTVNVBFIV-UHFFFAOYSA-N
XLogP3.25
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-pyridin-2-ylpiperidine-3-carboxamide
CID 133270598
1-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide
CID 103194591
1-[5-(1-hydroxyethyl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide
CID 103196725
N-cyclopentyl-1-[5-(cyclopropanecarbonylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 50842519
N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]cyclobutanecarboxamide
CID 113015663
(3S)-N-(2-ethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452595
(3R)-1-[6-[2-(2-ethylanilino)-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-methylpiperidine-3-carboxamide
CID 92883535
(3R)-3-N-(2-ethylphenyl)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 51686700
1-(6-ethylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 166605798
(3R)-1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide
CID 95785321
N-methyl-1-(6-phenylmethoxypyrazin-2-yl)piperidine-3-carboxamide
CID 154750088
1-[5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700725

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-ethylphenyl)carbamoylamino]-2-pyridinyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[5-[(2-ethylphenyl)carbamoylamino]-2-pyridinyl]-N-methylpiperidine-3-carboxamide (CID 50842368) is 1-[5-[(2-ethylphenyl)carbamoylamino]-2-pyridinyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[5-[(2-ethylphenyl)carbamoylamino]-2-pyridinyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[5-[(2-ethylphenyl)carbamoylamino]-2-pyridinyl]-N-methylpiperidine-3-carboxamide is CCc1ccccc1NC(=O)Nc1ccc(N2CCCC(C(=O)NC)C2)nc1.
What is the InChIKey of 1-[5-[(2-ethylphenyl)carbamoylamino]-2-pyridinyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is FKWIFRTVNVBFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-3-15-7-4-5-9-18(15)25-21(28)24-17-10-11-19(23-13-17)26-12-6-8-16(14-26)20(27)22-2/h4-5,7,9-11,13,16H,3,6,8,12,14H2,1-2H3,(H,22,27)(H2,24,25,28).
What are the key properties of 1-[5-[(2-ethylphenyl)carbamoylamino]-2-pyridinyl]-N-methylpiperidine-3-carboxamide?
1-[5-[(2-ethylphenyl)carbamoylamino]-2-pyridinyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-ethylphenyl)carbamoylamino]-2-pyridinyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 50842368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).