N-[2-(aminomethyl)cyclohexyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C17H22N4O2 — CID 119609339

IUPACN-[2-(aminomethyl)cyclohexyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc2ncc(C(=O)NC3CCCCC3CN)c(=O)n2c1
InChIInChI=1S/C17H22N4O2/c1-11-6-7-15-19-9-13(17(23)21(15)10-11)16(22)20-14-5-3-2-4-12(14)8-18/h6-7,9-10,12,14H,2-5,8,18H2,1H3,(H,20,22)
InChIKeyVCSGVMTYQUXUSE-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.25
Rot. Bonds3

About N-[2-(aminomethyl)cyclohexyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[2-(aminomethyl)cyclohexyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 119609339) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID119609339
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc2ncc(C(=O)NC3CCCCC3CN)c(=O)n2c1
InChIInChI=1S/C17H22N4O2/c1-11-6-7-15-19-9-13(17(23)21(15)10-11)16(22)20-14-5-3-2-4-12(14)8-18/h6-7,9-10,12,14H,2-5,8,18H2,1H3,(H,20,22)
InChIKeyVCSGVMTYQUXUSE-UHFFFAOYSA-N
XLogP1.25
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-methyl-N-(2-methylpiperidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 120577711
N-[(1S,2R)-2-(aminomethyl)cyclohexyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 129415450
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 119631055
7-methyl-N-(2-methylpiperidin-4-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 120602509
N-(1-amino-2,3-dimethylbutan-2-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 119605629
7-methyl-N-[2-(methylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119500073
7-methyl-4-oxo-N-phenylpyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878724
N-[2-(aminomethyl)cyclohexyl]-2-methylbenzamide;hydrochloride
CID 119609179
N-[2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119600954
3-(3-aminopiperidine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 119377302
N-[1-(2-methoxyphenyl)piperidin-4-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 136579839
N-(4-fluorophenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878732

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 119609339) is N-[2-(aminomethyl)cyclohexyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccc2ncc(C(=O)NC3CCCCC3CN)c(=O)n2c1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is VCSGVMTYQUXUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11-6-7-15-19-9-13(17(23)21(15)10-11)16(22)20-14-5-3-2-4-12(14)8-18/h6-7,9-10,12,14H,2-5,8,18H2,1H3,(H,20,22).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[2-(aminomethyl)cyclohexyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 119609339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).