N,N-bis(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C17H23N3O2 — CID 71941067

IUPACN,N-bis(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C17H23N3O2/c1-12(2)10-19(11-13(3)4)16(21)14-9-18-15-7-5-6-8-20(15)17(14)22/h5-9,12-13H,10-11H2,1-4H3
InChIKeySYXLORFBMZJQGS-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.45
Rot. Bonds5

About N,N-bis(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N,N-bis(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 71941067) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID71941067
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN,N-bis(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C17H23N3O2/c1-12(2)10-19(11-13(3)4)16(21)14-9-18-15-7-5-6-8-20(15)17(14)22/h5-9,12-13H,10-11H2,1-4H3
InChIKeySYXLORFBMZJQGS-UHFFFAOYSA-N
XLogP2.45
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 107482606
N-(3-hydroxybutyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 115673352
N-ethyl-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 115771474
N-(2-methylpropoxy)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 115410125
N-benzyl-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24627026
N-(2-amino-2-oxoethyl)-N-butyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 56795807
N-(3-aminobutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119499484
4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
CID 56684110
N-[(4-bromophenyl)methyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 99176967
N-(furan-2-ylmethyl)-N-[(2S)-3-methylbutan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 94599867
N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111662536
N-methyl-4-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 70772816

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N,N-bis(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 71941067) is N,N-bis(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N,N-bis(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N,N-bis(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CC(C)CN(CC(C)C)C(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N,N-bis(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is SYXLORFBMZJQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12(2)10-19(11-13(3)4)16(21)14-9-18-15-7-5-6-8-20(15)17(14)22/h5-9,12-13H,10-11H2,1-4H3.
What are the key properties of N,N-bis(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N,N-bis(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 71941067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).