1-(6-ethylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide

C13H20N4O — CID 166605798

IUPAC1-(6-ethylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
SMILESCCc1cc(N2CCCC(C(=O)NC)C2)ncn1
InChIInChI=1S/C13H20N4O/c1-3-11-7-12(16-9-15-11)17-6-4-5-10(8-17)13(18)14-2/h7,9-10H,3-6,8H2,1-2H3,(H,14,18)
InChIKeyLYBCEZWWVDFROV-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.00
Rot. Bonds3

About 1-(6-ethylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide

1-(6-ethylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide (PubChem CID 166605798) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(6-ethylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-ethylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
PubChem CID166605798
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-(6-ethylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
SMILESCCc1cc(N2CCCC(C(=O)NC)C2)ncn1
InChIInChI=1S/C13H20N4O/c1-3-11-7-12(16-9-15-11)17-6-4-5-10(8-17)13(18)14-2/h7,9-10H,3-6,8H2,1-2H3,(H,14,18)
InChIKeyLYBCEZWWVDFROV-UHFFFAOYSA-N
XLogP1.00
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-ethylpyrimidin-4-yl)-N-methylpiperidin-3-amine
CID 62545846
N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-2-(methylamino)acetamide;hydrochloride
CID 120704514
2-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]acetic acid
CID 62689410
1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 126848226
1-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide
CID 103194591
ethyl 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylate
CID 126849578
N-methyl-1-pyridin-2-ylpiperidine-3-carboxamide
CID 133270598
N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 171704924
N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine
CID 62593889
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1-phenylpyrrolidine-3-carboxamide
CID 136545875
1-[5-(1-hydroxyethyl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide
CID 103196725
1-[6-(ethylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 80799616

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(6-ethylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide (CID 166605798) is 1-(6-ethylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(6-ethylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(6-ethylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide is CCc1cc(N2CCCC(C(=O)NC)C2)ncn1.
What is the InChIKey of 1-(6-ethylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide?
The InChIKey is LYBCEZWWVDFROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-3-11-7-12(16-9-15-11)17-6-4-5-10(8-17)13(18)14-2/h7,9-10H,3-6,8H2,1-2H3,(H,14,18).
What are the key properties of 1-(6-ethylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide?
1-(6-ethylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 166605798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).