N-(2,2-difluoro-3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C12H11F2N3O3 — CID 104858093

IUPACN-(2,2-difluoro-3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCC(F)(F)CO)c1cnc2ccccn2c1=O
InChIInChI=1S/C12H11F2N3O3/c13-12(14,7-18)6-16-10(19)8-5-15-9-3-1-2-4-17(9)11(8)20/h1-5,18H,6-7H2,(H,16,19)
InChIKeyCNRBXZXKIYBVFU-UHFFFAOYSA-N
MW283.23 g/mol
LogP0.05
Rot. Bonds4

About N-(2,2-difluoro-3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 104858093) has the molecular formula C12H11F2N3O3 and a molecular weight of 283.23 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID104858093
Molecular FormulaC12H11F2N3O3
Molecular Weight283.23 g/mol
Exact Mass283.08
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCC(F)(F)CO)c1cnc2ccccn2c1=O
InChIInChI=1S/C12H11F2N3O3/c13-12(14,7-18)6-16-10(19)8-5-15-9-3-1-2-4-17(9)11(8)20/h1-5,18H,6-7H2,(H,16,19)
InChIKeyCNRBXZXKIYBVFU-UHFFFAOYSA-N
XLogP0.05
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.23
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
4-oxo-N-(2,2,2-trifluoroethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 45804485
4-oxo-N-(2,2,2-trifluoroethoxy)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 81340511
4-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 103723227
N-(3,3-difluoro-2-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 103769671
2-[[(2,2-Difluoro-3-hydroxypropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 106175986
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 107482606
3-(Aminomethyl)-8-fluoropyrido[1,2-a]pyrimidin-4-one
CID 115019285
3-(Aminomethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115044938
3-(Aminomethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115044941
N-(3-amino-2,2-difluoropropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 120408342

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 104858093) is N-(2,2-difluoro-3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NCC(F)(F)CO)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is CNRBXZXKIYBVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O3/c13-12(14,7-18)6-16-10(19)8-5-15-9-3-1-2-4-17(9)11(8)20/h1-5,18H,6-7H2,(H,16,19).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 283.23 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 104858093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).