7-methyl-N-(2-methylpiperidin-4-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride

C16H21ClN4O2 — CID 120602509

IUPAC7-methyl-N-(2-methylpiperidin-4-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
SMILESCc1ccc2ncc(C(=O)NC3CCNC(C)C3)c(=O)n2c1.Cl
InChIInChI=1S/C16H20N4O2.ClH/c1-10-3-4-14-18-8-13(16(22)20(14)9-10)15(21)19-12-5-6-17-11(2)7-12;/h3-4,8-9,11-12,17H,5-7H2,1-2H3,(H,19,21);1H
InChIKeyFRQNQCMUQFEGBQ-UHFFFAOYSA-N
MW336.82 g/mol
LogP1.30
Rot. Bonds2

About 7-methyl-N-(2-methylpiperidin-4-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride

7-methyl-N-(2-methylpiperidin-4-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride (PubChem CID 120602509) has the molecular formula C16H21ClN4O2 and a molecular weight of 336.82 g/mol. Its IUPAC name is 7-methyl-N-(2-methylpiperidin-4-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name7-methyl-N-(2-methylpiperidin-4-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
PubChem CID120602509
Molecular FormulaC16H21ClN4O2
Molecular Weight336.82 g/mol
Exact Mass336.14
IUPAC Name7-methyl-N-(2-methylpiperidin-4-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
SMILESCc1ccc2ncc(C(=O)NC3CCNC(C)C3)c(=O)n2c1.Cl
InChIInChI=1S/C16H20N4O2.ClH/c1-10-3-4-14-18-8-13(16(22)20(14)9-10)15(21)19-12-5-6-17-11(2)7-12;/h3-4,8-9,11-12,17H,5-7H2,1-2H3,(H,19,21);1H
InChIKeyFRQNQCMUQFEGBQ-UHFFFAOYSA-N
XLogP1.30
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-methyl-N-(2-methylpiperidin-4-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride with MolForge

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Related Compounds

7-methyl-N-(2-methylpiperidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 120577711
3-(2,3-dimethylpiperazine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 120573008
N-[2-(aminomethyl)cyclohexyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119609339
N-[1-(2-methoxyphenyl)piperidin-4-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 136579839
7-methyl-N-[2-(methylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119500073
3-methyl-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 120598744
N-(4-fluorophenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878732
2-bromo-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995466
7-methyl-4-oxo-N-phenylpyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878724
7-methyl-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 92815614
3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
CID 120601286
N-(4-bromophenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878735

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(2-methylpiperidin-4-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride?
The IUPAC name of 7-methyl-N-(2-methylpiperidin-4-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride (CID 120602509) is 7-methyl-N-(2-methylpiperidin-4-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 7-methyl-N-(2-methylpiperidin-4-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride?
The canonical SMILES for 7-methyl-N-(2-methylpiperidin-4-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride is Cc1ccc2ncc(C(=O)NC3CCNC(C)C3)c(=O)n2c1.Cl.
What is the InChIKey of 7-methyl-N-(2-methylpiperidin-4-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride?
The InChIKey is FRQNQCMUQFEGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2.ClH/c1-10-3-4-14-18-8-13(16(22)20(14)9-10)15(21)19-12-5-6-17-11(2)7-12;/h3-4,8-9,11-12,17H,5-7H2,1-2H3,(H,19,21);1H.
What are the key properties of 7-methyl-N-(2-methylpiperidin-4-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride?
7-methyl-N-(2-methylpiperidin-4-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride has a molecular weight of 336.82 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(2-methylpiperidin-4-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120602509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).