9-(ethylamino)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide

C18H17FN4O3 — CID 54730631

IUPAC9-(ethylamino)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCCNc1cccn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12
InChIInChI=1S/C18H17FN4O3/c1-2-20-13-4-3-9-23-16(13)22-14(15(24)18(23)26)17(25)21-10-11-5-7-12(19)8-6-11/h3-9,20,24H,2,10H2,1H3,(H,21,25)
InChIKeyIECKFYAGOUPMJR-UHFFFAOYSA-N
MW356.36 g/mol
LogP1.90
Rot. Bonds5

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

9-(ethylamino)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 54730631) has the molecular formula C18H17FN4O3 and a molecular weight of 356.36 g/mol. Its IUPAC name is 9-(ethylamino)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name9-(ethylamino)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID54730631
Molecular FormulaC18H17FN4O3
Molecular Weight356.36 g/mol
Exact Mass356.13
IUPAC Name9-(ethylamino)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCCNc1cccn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12
InChIInChI=1S/C18H17FN4O3/c1-2-20-13-4-3-9-23-16(13)22-14(15(24)18(23)26)17(25)21-10-11-5-7-12(19)8-6-11/h3-9,20,24H,2,10H2,1H3,(H,21,25)
InChIKeyIECKFYAGOUPMJR-UHFFFAOYSA-N
XLogP1.90
TPSA95.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(ethylamino)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of 9-(ethylamino)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (CID 54730631) is 9-(ethylamino)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 9-(ethylamino)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for 9-(ethylamino)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is CCNc1cccn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12.
What is the InChIKey of 9-(ethylamino)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is IECKFYAGOUPMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3/c1-2-20-13-4-3-9-23-16(13)22-14(15(24)18(23)26)17(25)21-10-11-5-7-12(19)8-6-11/h3-9,20,24H,2,10H2,1H3,(H,21,25).
What are the key properties of 9-(ethylamino)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
9-(ethylamino)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 356.36 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(ethylamino)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 54730631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).