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

C16H19N3O2 — CID 42889452

IUPACN-(cyclohexylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCC1CCCCC1)c1cnc2ccccn2c1=O
InChIInChI=1S/C16H19N3O2/c20-15(18-10-12-6-2-1-3-7-12)13-11-17-14-8-4-5-9-19(14)16(13)21/h4-5,8-9,11-12H,1-3,6-7,10H2,(H,18,20)
InChIKeyBXMMFVUYXLVLPJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.00
Rot. Bonds3

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

N-(cyclohexylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 42889452) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID42889452
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(cyclohexylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCC1CCCCC1)c1cnc2ccccn2c1=O
InChIInChI=1S/C16H19N3O2/c20-15(18-10-12-6-2-1-3-7-12)13-11-17-14-8-4-5-9-19(14)16(13)21/h4-5,8-9,11-12H,1-3,6-7,10H2,(H,18,20)
InChIKeyBXMMFVUYXLVLPJ-UHFFFAOYSA-N
XLogP2.00
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 42889452) is N-(cyclohexylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NCC1CCCCC1)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(cyclohexylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is BXMMFVUYXLVLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-15(18-10-12-6-2-1-3-7-12)13-11-17-14-8-4-5-9-19(14)16(13)21/h4-5,8-9,11-12H,1-3,6-7,10H2,(H,18,20).
What are the key properties of N-(cyclohexylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(cyclohexylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 42889452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).