N-(1-hydroxy-2-methylpropan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C13H15N3O3 — CID 43500687

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)(CO)NC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C13H15N3O3/c1-13(2,8-17)15-11(18)9-7-14-10-5-3-4-6-16(10)12(9)19/h3-7,17H,8H2,1-2H3,(H,15,18)
InChIKeyWILMAVLSWIBSDK-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.20
Rot. Bonds3

About N-(1-hydroxy-2-methylpropan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 43500687) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID43500687
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)(CO)NC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C13H15N3O3/c1-13(2,8-17)15-11(18)9-7-14-10-5-3-4-6-16(10)12(9)19/h3-7,17H,8H2,1-2H3,(H,15,18)
InChIKeyWILMAVLSWIBSDK-UHFFFAOYSA-N
XLogP0.20
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N,6-dimethyl-4-oxo-
CID 3079272
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-4-oxo-N-propyl-
CID 3079273
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-N-(1-methylethyl)-4-oxo-
CID 3079274
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-(1,1-dimethylethyl)-6-methyl-4-oxo-
CID 3079276
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 4-oxo-N-propyl-
CID 3079290
2-[(2-hydroxyethyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 1552315
2-Hydroxy-4-oxo-N-(propan-2-YL)-4H-pyrido[1,2-A]pyrimidine-3-carboxamide
CID 135681030
2-hydroxy-4-oxo-N-propyl-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681028
N-allyl-2-hydroxy-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681033
2-hydroxy-N-(2-hydroxyethyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681038
2-hydroxy-N-(2-hydroxyethyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135680951
2-hydroxy-N-(2-hydroxyethyl)-8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135680994

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 43500687) is N-(1-hydroxy-2-methylpropan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CC(C)(CO)NC(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is WILMAVLSWIBSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-13(2,8-17)15-11(18)9-7-14-10-5-3-4-6-16(10)12(9)19/h3-7,17H,8H2,1-2H3,(H,15,18).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 43500687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).