N-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C17H19N3O3 — CID 135681047

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1c(O)nc2ccccn2c1=O
InChIInChI=1S/C17H19N3O3/c21-15(18-10-9-12-6-2-1-3-7-12)14-16(22)19-13-8-4-5-11-20(13)17(14)23/h4-6,8,11,22H,1-3,7,9-10H2,(H,18,21)
InChIKeyNVKPRCFOYHWRDU-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.02
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135681047) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135681047
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1c(O)nc2ccccn2c1=O
InChIInChI=1S/C17H19N3O3/c21-15(18-10-9-12-6-2-1-3-7-12)14-16(22)19-13-8-4-5-11-20(13)17(14)23/h4-6,8,11,22H,1-3,7,9-10H2,(H,18,21)
InChIKeyNVKPRCFOYHWRDU-UHFFFAOYSA-N
XLogP2.02
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 135681047) is N-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NCCC1=CCCCC1)c1c(O)nc2ccccn2c1=O.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is NVKPRCFOYHWRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-15(18-10-9-12-6-2-1-3-7-12)14-16(22)19-13-8-4-5-11-20(13)17(14)23/h4-6,8,11,22H,1-3,7,9-10H2,(H,18,21).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135681047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).