N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-propylpentanamide

C17H23N3O2 — CID 7217028

IUPACN-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1c(C)nc2ccccn2c1=O
InChIInChI=1S/C17H23N3O2/c1-4-8-13(9-5-2)16(21)19-15-12(3)18-14-10-6-7-11-20(14)17(15)22/h6-7,10-11,13H,4-5,8-9H2,1-3H3,(H,19,21)
InChIKeyIQLJRSOJEGMGRP-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.16
Rot. Bonds6

About N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-propylpentanamide

N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-propylpentanamide (PubChem CID 7217028) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-propylpentanamide.

Molecular Properties

Compound NameN-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-propylpentanamide
PubChem CID7217028
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1c(C)nc2ccccn2c1=O
InChIInChI=1S/C17H23N3O2/c1-4-8-13(9-5-2)16(21)19-15-12(3)18-14-10-6-7-11-20(14)17(15)22/h6-7,10-11,13H,4-5,8-9H2,1-3H3,(H,19,21)
InChIKeyIQLJRSOJEGMGRP-UHFFFAOYSA-N
XLogP3.16
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]pentanamide
CID 90670938
N-{2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}pentanamide
CID 7217027
N-(2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide
CID 16799362
N-(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)isobutyramide
CID 18566117
N-(2,9-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)cyclopentanecarboxamide
CID 18566216
2-cyclohexyl-N-{2,7-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}acetamide
CID 44009998
2-cyclopentyl-N-(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acetamide
CID 7217022
N-(cyclohexylmethyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetamide
CID 44782707
N-{2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}cyclohexanecarboxamide
CID 6950001
3,3-dimethyl-N-(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)butanamide
CID 7217001
N-(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)cyclopropanecarboxamide
CID 7217002
3-Cyclohexyl-N-{2-methyl-4-oxo-4H-pyrido[1,2-A]pyrimidin-3-YL}propanamide
CID 7217026

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-propylpentanamide?
The IUPAC name of N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-propylpentanamide (CID 7217028) is N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-propylpentanamide.
What is the SMILES notation for N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-propylpentanamide?
The canonical SMILES for N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-propylpentanamide is CCCC(CCC)C(=O)Nc1c(C)nc2ccccn2c1=O.
What is the InChIKey of N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-propylpentanamide?
The InChIKey is IQLJRSOJEGMGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-4-8-13(9-5-2)16(21)19-15-12(3)18-14-10-6-7-11-20(14)17(15)22/h6-7,10-11,13H,4-5,8-9H2,1-3H3,(H,19,21).
What are the key properties of N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-propylpentanamide?
N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-propylpentanamide has a molecular weight of 301.39 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-propylpentanamide is sourced from PubChem (CID 7217028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).