N-(1-aminohexan-2-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C16H22N4O2 — CID 154762719

IUPACN-(1-aminohexan-2-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCCC(CN)NC(=O)c1cnc2c(C)cccn2c1=O
InChIInChI=1S/C16H22N4O2/c1-3-4-7-12(9-17)19-15(21)13-10-18-14-11(2)6-5-8-20(14)16(13)22/h5-6,8,10,12H,3-4,7,9,17H2,1-2H3,(H,19,21)
InChIKeyKSHSMVOAIUTARA-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.25
Rot. Bonds6

About N-(1-aminohexan-2-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(1-aminohexan-2-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 154762719) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID154762719
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-(1-aminohexan-2-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCCC(CN)NC(=O)c1cnc2c(C)cccn2c1=O
InChIInChI=1S/C16H22N4O2/c1-3-4-7-12(9-17)19-15(21)13-10-18-14-11(2)6-5-8-20(14)16(13)22/h5-6,8,10,12H,3-4,7,9,17H2,1-2H3,(H,19,21)
InChIKeyKSHSMVOAIUTARA-UHFFFAOYSA-N
XLogP1.25
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-aminohexan-2-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 46364466
N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 92626081
9-methyl-4-oxo-N-(pyridin-3-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 53013788
2-amino-N-(1-aminohexan-2-yl)benzamide
CID 122080973
N-(1-aminohexan-2-yl)-3-methyl-2-nitrobenzamide
CID 80696935
9-methyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 46364468
N-[2-(azepan-1-yl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20886611
9-methyl-4-oxo-N-[2-(4-phenylphenoxy)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 46976398
N-(1-aminohexan-2-yl)-2,6-dimethylpyridine-3-carboxamide;dihydrochloride
CID 119667886
N-(1-aminohexan-2-yl)-1-tert-butyl-5-ethylpyrazole-4-carboxamide
CID 119666656
N-(1-aminohexan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide
CID 119668324
N-(1-aminohexan-2-yl)-2-benzylbenzamide
CID 119666866

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1-aminohexan-2-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 154762719) is N-(1-aminohexan-2-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCCCC(CN)NC(=O)c1cnc2c(C)cccn2c1=O.
What is the InChIKey of N-(1-aminohexan-2-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is KSHSMVOAIUTARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-3-4-7-12(9-17)19-15(21)13-10-18-14-11(2)6-5-8-20(14)16(13)22/h5-6,8,10,12H,3-4,7,9,17H2,1-2H3,(H,19,21).
What are the key properties of N-(1-aminohexan-2-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(1-aminohexan-2-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 154762719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).