9-[ethyl(pyridine-4-carbonyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide

C24H20FN5O4 — CID 54730628

IUPAC9-[ethyl(pyridine-4-carbonyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCCN(C(=O)c1ccncc1)c1cccn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12
InChIInChI=1S/C24H20FN5O4/c1-2-29(23(33)16-9-11-26-12-10-16)18-4-3-13-30-21(18)28-19(20(31)24(30)34)22(32)27-14-15-5-7-17(25)8-6-15/h3-13,31H,2,14H2,1H3,(H,27,32)
InChIKeyRYRRGKULNSKKHS-UHFFFAOYSA-N
MW461.45 g/mol
LogP2.53
Rot. Bonds6

About 9-[ethyl(pyridine-4-carbonyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide

9-[ethyl(pyridine-4-carbonyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 54730628) has the molecular formula C24H20FN5O4 and a molecular weight of 461.45 g/mol. Its IUPAC name is 9-[ethyl(pyridine-4-carbonyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name9-[ethyl(pyridine-4-carbonyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID54730628
Molecular FormulaC24H20FN5O4
Molecular Weight461.45 g/mol
Exact Mass461.15
IUPAC Name9-[ethyl(pyridine-4-carbonyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCCN(C(=O)c1ccncc1)c1cccn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12
InChIInChI=1S/C24H20FN5O4/c1-2-29(23(33)16-9-11-26-12-10-16)18-4-3-13-30-21(18)28-19(20(31)24(30)34)22(32)27-14-15-5-7-17(25)8-6-15/h3-13,31H,2,14H2,1H3,(H,27,32)
InChIKeyRYRRGKULNSKKHS-UHFFFAOYSA-N
XLogP2.53
TPSA116.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.45
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-[ethyl(pyridine-4-carbonyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of 9-[ethyl(pyridine-4-carbonyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (CID 54730628) is 9-[ethyl(pyridine-4-carbonyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 9-[ethyl(pyridine-4-carbonyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for 9-[ethyl(pyridine-4-carbonyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is CCN(C(=O)c1ccncc1)c1cccn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12.
What is the InChIKey of 9-[ethyl(pyridine-4-carbonyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is RYRRGKULNSKKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O4/c1-2-29(23(33)16-9-11-26-12-10-16)18-4-3-13-30-21(18)28-19(20(31)24(30)34)22(32)27-14-15-5-7-17(25)8-6-15/h3-13,31H,2,14H2,1H3,(H,27,32).
What are the key properties of 9-[ethyl(pyridine-4-carbonyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
9-[ethyl(pyridine-4-carbonyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 461.45 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[ethyl(pyridine-4-carbonyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 54730628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).