2-(cyclohexylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid

C17H21N3O3 — CID 44612427

IUPAC2-(cyclohexylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
SMILESCc1cccn2c(=O)c(C(=O)O)c(NCC3CCCCC3)nc12
InChIInChI=1S/C17H21N3O3/c1-11-6-5-9-20-15(11)19-14(13(16(20)21)17(22)23)18-10-12-7-3-2-4-8-12/h5-6,9,12,18H,2-4,7-8,10H2,1H3,(H,22,23)
InChIKeyIQNWSCWVHCRMQH-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.69
Rot. Bonds4

About 2-(cyclohexylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid

2-(cyclohexylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid (PubChem CID 44612427) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-(cyclohexylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(cyclohexylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
PubChem CID44612427
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-(cyclohexylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
SMILESCc1cccn2c(=O)c(C(=O)O)c(NCC3CCCCC3)nc12
InChIInChI=1S/C17H21N3O3/c1-11-6-5-9-20-15(11)19-14(13(16(20)21)17(22)23)18-10-12-7-3-2-4-8-12/h5-6,9,12,18H,2-4,7-8,10H2,1H3,(H,22,23)
InChIKeyIQNWSCWVHCRMQH-UHFFFAOYSA-N
XLogP2.69
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 2-(cyclohexylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid (CID 44612427) is 2-(cyclohexylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 2-(cyclohexylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 2-(cyclohexylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid is Cc1cccn2c(=O)c(C(=O)O)c(NCC3CCCCC3)nc12.
What is the InChIKey of 2-(cyclohexylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid?
The InChIKey is IQNWSCWVHCRMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11-6-5-9-20-15(11)19-14(13(16(20)21)17(22)23)18-10-12-7-3-2-4-8-12/h5-6,9,12,18H,2-4,7-8,10H2,1H3,(H,22,23).
What are the key properties of 2-(cyclohexylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid?
2-(cyclohexylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid has a molecular weight of 315.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 44612427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).