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

C18H23N3O3 — CID 110003964

IUPACN-[(2-hydroxycyclohexyl)methyl]-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)N(C)CC3CCCCC3O)cnc2c1
InChIInChI=1S/C18H23N3O3/c1-12-7-8-21-16(9-12)19-10-14(18(21)24)17(23)20(2)11-13-5-3-4-6-15(13)22/h7-10,13,15,22H,3-6,11H2,1-2H3
InChIKeyYCUJADBTFALAAI-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.63
Rot. Bonds3

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

N-[(2-hydroxycyclohexyl)methyl]-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 110003964) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID110003964
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)N(C)CC3CCCCC3O)cnc2c1
InChIInChI=1S/C18H23N3O3/c1-12-7-8-21-16(9-12)19-10-14(18(21)24)17(23)20(2)11-13-5-3-4-6-15(13)22/h7-10,13,15,22H,3-6,11H2,1-2H3
InChIKeyYCUJADBTFALAAI-UHFFFAOYSA-N
XLogP1.63
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 110003964) is N-[(2-hydroxycyclohexyl)methyl]-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccn2c(=O)c(C(=O)N(C)CC3CCCCC3O)cnc2c1.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is YCUJADBTFALAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12-7-8-21-16(9-12)19-10-14(18(21)24)17(23)20(2)11-13-5-3-4-6-15(13)22/h7-10,13,15,22H,3-6,11H2,1-2H3.
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(2-hydroxycyclohexyl)methyl]-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 110003964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).