N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide

C17H21N3O2 — CID 16799362

IUPACN-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide
SMILESCc1ccn2c(=O)c(NC(=O)C3CCCCC3)c(C)nc2c1
InChIInChI=1S/C17H21N3O2/c1-11-8-9-20-14(10-11)18-12(2)15(17(20)22)19-16(21)13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3,(H,19,21)
InChIKeyHJWDSKGWRLGMMC-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.83
Rot. Bonds2

About N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide

N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide (PubChem CID 16799362) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide
PubChem CID16799362
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide
SMILESCc1ccn2c(=O)c(NC(=O)C3CCCCC3)c(C)nc2c1
InChIInChI=1S/C17H21N3O2/c1-11-8-9-20-14(10-11)18-12(2)15(17(20)22)19-16(21)13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3,(H,19,21)
InChIKeyHJWDSKGWRLGMMC-UHFFFAOYSA-N
XLogP2.83
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 44009998
CID 44009998
CID 7217022
CID 7217022
CID 44782707
CID 44782707
CID 4340425
CID 4340425
CID 4605609
CID 4605609
CID 6950001
CID 6950001
CID 7217026
CID 7217026
CID 7217028
CID 7217028
CID 16349108
CID 16349108
CID 16799358
CID 16799358
CID 16799376
CID 16799376
CID 16799382
CID 16799382

Frequently Asked Questions

What is the IUPAC name of N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide?
The IUPAC name of N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide (CID 16799362) is N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide is Cc1ccn2c(=O)c(NC(=O)C3CCCCC3)c(C)nc2c1.
What is the InChIKey of N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide?
The InChIKey is HJWDSKGWRLGMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11-8-9-20-14(10-11)18-12(2)15(17(20)22)19-16(21)13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3,(H,19,21).
What are the key properties of N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide?
N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide is sourced from PubChem (CID 16799362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).