N-(cyclopropylmethyl)-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide

C16H19N3O2 — CID 131952169

IUPACN-(cyclopropylmethyl)-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCN(CC1CC1)C(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C16H19N3O2/c1-2-8-18(11-12-6-7-12)15(20)13-10-17-14-5-3-4-9-19(14)16(13)21/h3-5,9-10,12H,2,6-8,11H2,1H3
InChIKeyVWUBKADFTHHFPX-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.96
Rot. Bonds5

About N-(cyclopropylmethyl)-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide

N-(cyclopropylmethyl)-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 131952169) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID131952169
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(cyclopropylmethyl)-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCN(CC1CC1)C(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C16H19N3O2/c1-2-8-18(11-12-6-7-12)15(20)13-10-17-14-5-3-4-9-19(14)16(13)21/h3-5,9-10,12H,2,6-8,11H2,1H3
InChIKeyVWUBKADFTHHFPX-UHFFFAOYSA-N
XLogP1.96
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide (CID 131952169) is N-(cyclopropylmethyl)-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide is CCCN(CC1CC1)C(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(cyclopropylmethyl)-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is VWUBKADFTHHFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-8-18(11-12-6-7-12)15(20)13-10-17-14-5-3-4-9-19(14)16(13)21/h3-5,9-10,12H,2,6-8,11H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide?
N-(cyclopropylmethyl)-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 131952169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).