6-(2-ethylpiperidin-1-yl)-N-prop-2-enylpyrimidine-4-carboxamide

C15H22N4O — CID 109339691

IUPAC6-(2-ethylpiperidin-1-yl)-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(N2CCCCC2CC)ncn1
InChIInChI=1S/C15H22N4O/c1-3-8-16-15(20)13-10-14(18-11-17-13)19-9-6-5-7-12(19)4-2/h3,10-12H,1,4-9H2,2H3,(H,16,20)
InChIKeyRNZVRKCLDCYDSA-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.16
Rot. Bonds5

About 6-(2-ethylpiperidin-1-yl)-N-prop-2-enylpyrimidine-4-carboxamide

6-(2-ethylpiperidin-1-yl)-N-prop-2-enylpyrimidine-4-carboxamide (PubChem CID 109339691) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 6-(2-ethylpiperidin-1-yl)-N-prop-2-enylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-ethylpiperidin-1-yl)-N-prop-2-enylpyrimidine-4-carboxamide
PubChem CID109339691
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name6-(2-ethylpiperidin-1-yl)-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(N2CCCCC2CC)ncn1
InChIInChI=1S/C15H22N4O/c1-3-8-16-15(20)13-10-14(18-11-17-13)19-9-6-5-7-12(19)4-2/h3,10-12H,1,4-9H2,2H3,(H,16,20)
InChIKeyRNZVRKCLDCYDSA-UHFFFAOYSA-N
XLogP2.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-6-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109341455
6-(2-ethylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109344596
6-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109354878
6-[(2S)-2-ethylpiperidin-1-yl]-N-methylpyrimidin-4-amine
CID 129372140
6-(2-ethylazepan-1-yl)-N-methylpyrimidin-4-amine
CID 104693081
N-cyclohexyl-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 112856254
4-(2-ethylpiperidin-1-yl)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202928
N-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112857436
4-(2-ethylpyrrolidin-1-yl)-6-fluoropyrimidine
CID 115416581
N-(4-bromophenyl)-2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
CID 50928697
N-[2-(dimethylamino)ethyl]-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109115393
5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 109287769

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylpiperidin-1-yl)-N-prop-2-enylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2-ethylpiperidin-1-yl)-N-prop-2-enylpyrimidine-4-carboxamide (CID 109339691) is 6-(2-ethylpiperidin-1-yl)-N-prop-2-enylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-ethylpiperidin-1-yl)-N-prop-2-enylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-ethylpiperidin-1-yl)-N-prop-2-enylpyrimidine-4-carboxamide is C=CCNC(=O)c1cc(N2CCCCC2CC)ncn1.
What is the InChIKey of 6-(2-ethylpiperidin-1-yl)-N-prop-2-enylpyrimidine-4-carboxamide?
The InChIKey is RNZVRKCLDCYDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-8-16-15(20)13-10-14(18-11-17-13)19-9-6-5-7-12(19)4-2/h3,10-12H,1,4-9H2,2H3,(H,16,20).
What are the key properties of 6-(2-ethylpiperidin-1-yl)-N-prop-2-enylpyrimidine-4-carboxamide?
6-(2-ethylpiperidin-1-yl)-N-prop-2-enylpyrimidine-4-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylpiperidin-1-yl)-N-prop-2-enylpyrimidine-4-carboxamide is sourced from PubChem (CID 109339691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).