N,N-diethyl-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide

C15H24N4O — CID 109262348

IUPACN,N-diethyl-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc(N2CCCC(C)C2)nc1
InChIInChI=1S/C15H24N4O/c1-4-18(5-2)14(20)13-9-16-15(17-10-13)19-8-6-7-12(3)11-19/h9-10,12H,4-8,11H2,1-3H3
InChIKeyLDBBWRSDZPQGIL-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.19
Rot. Bonds4

About N,N-diethyl-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide

N,N-diethyl-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide (PubChem CID 109262348) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N,N-diethyl-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
PubChem CID109262348
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN,N-diethyl-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc(N2CCCC(C)C2)nc1
InChIInChI=1S/C15H24N4O/c1-4-18(5-2)14(20)13-9-16-15(17-10-13)19-8-6-7-12(3)11-19/h9-10,12H,4-8,11H2,1-3H3
InChIKeyLDBBWRSDZPQGIL-UHFFFAOYSA-N
XLogP2.19
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109263399
N-(4-ethylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264445
N,N-diethyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109124404
N-[(4-chlorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109257604
N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109257408
N-benzyl-N-ethyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250116
[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 46957859
N-benzyl-N-ethyl-2-(3-methylpiperidin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide
CID 11496205
3,4-dihydro-1H-isoquinolin-2-yl-[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]methanone
CID 109259645
ethyl 4-[5-(3-methylpiperidine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 109261929
N,N-diethyl-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 78777244
N-(3-bromophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264504

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N,N-diethyl-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide (CID 109262348) is N,N-diethyl-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N,N-diethyl-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N,N-diethyl-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide is CCN(CC)C(=O)c1cnc(N2CCCC(C)C2)nc1.
What is the InChIKey of N,N-diethyl-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is LDBBWRSDZPQGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-4-18(5-2)14(20)13-9-16-15(17-10-13)19-8-6-7-12(3)11-19/h9-10,12H,4-8,11H2,1-3H3.
What are the key properties of N,N-diethyl-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
N,N-diethyl-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109262348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).