N-[(1-methoxycyclohexyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C18H23N3O3 — CID 167799695

IUPACN-[(1-methoxycyclohexyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOC1(CNC(=O)c2cnc3cc(C)ccn3c2=O)CCCCC1
InChIInChI=1S/C18H23N3O3/c1-13-6-9-21-15(10-13)19-11-14(17(21)23)16(22)20-12-18(24-2)7-4-3-5-8-18/h6,9-11H,3-5,7-8,12H2,1-2H3,(H,20,22)
InChIKeyYVJCYHOJWHUPGH-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.08
Rot. Bonds4

About N-[(1-methoxycyclohexyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[(1-methoxycyclohexyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 167799695) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(1-methoxycyclohexyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-methoxycyclohexyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID167799695
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[(1-methoxycyclohexyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOC1(CNC(=O)c2cnc3cc(C)ccn3c2=O)CCCCC1
InChIInChI=1S/C18H23N3O3/c1-13-6-9-21-15(10-13)19-11-14(17(21)23)16(22)20-12-18(24-2)7-4-3-5-8-18/h6,9-11H,3-5,7-8,12H2,1-2H3,(H,20,22)
InChIKeyYVJCYHOJWHUPGH-UHFFFAOYSA-N
XLogP2.08
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycyclohexyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1-methoxycyclohexyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 167799695) is N-[(1-methoxycyclohexyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1-methoxycyclohexyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1-methoxycyclohexyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is COC1(CNC(=O)c2cnc3cc(C)ccn3c2=O)CCCCC1.
What is the InChIKey of N-[(1-methoxycyclohexyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is YVJCYHOJWHUPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-6-9-21-15(10-13)19-11-14(17(21)23)16(22)20-12-18(24-2)7-4-3-5-8-18/h6,9-11H,3-5,7-8,12H2,1-2H3,(H,20,22).
What are the key properties of N-[(1-methoxycyclohexyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(1-methoxycyclohexyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methoxycyclohexyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 167799695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).