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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Related Compounds

2-(cyclohexylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 163750040
2-[2-[4-(fluoromethoxy)phenoxy]ethylamino]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 90290579
2-(3-chloroanilino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 44612424
2-(3-fluoroanilino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 44612425
9-methyl-2-(3-nitroanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 58357430
N-(cyclohexylmethyl)-8-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 87051378
[3-[(3-methoxycarbonyl-9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]phenyl]chloranium
CID 163811261
2-hydroxy-N-(2-methoxyethyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135680949
N-(cyclohexylmethyl)-3-methylpyridin-2-amine
CID 60960481
N-[2-(1-cyclopropylethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-3,3-dimethylbutanamide
CID 56944224
3-cyclopentyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 16559332
(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-cyclopentylpropanoate
CID 55356214

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).