N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C19H15FN4O3 — CID 167951141

IUPACN-[4-fluoro-3-(prop-2-enoylamino)phenyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESC=CC(=O)Nc1cc(NC(=O)c2cnc3ccc(C)cn3c2=O)ccc1F
InChIInChI=1S/C19H15FN4O3/c1-3-17(25)23-15-8-12(5-6-14(15)20)22-18(26)13-9-21-16-7-4-11(2)10-24(16)19(13)27/h3-10H,1H2,2H3,(H,22,26)(H,23,25)
InChIKeyHHBZCGMYMZRULY-UHFFFAOYSA-N
MW366.35 g/mol
LogP2.52
Rot. Bonds4

About N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 167951141) has the molecular formula C19H15FN4O3 and a molecular weight of 366.35 g/mol. Its IUPAC name is N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(prop-2-enoylamino)phenyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID167951141
Molecular FormulaC19H15FN4O3
Molecular Weight366.35 g/mol
Exact Mass366.11
IUPAC NameN-[4-fluoro-3-(prop-2-enoylamino)phenyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESC=CC(=O)Nc1cc(NC(=O)c2cnc3ccc(C)cn3c2=O)ccc1F
InChIInChI=1S/C19H15FN4O3/c1-3-17(25)23-15-8-12(5-6-14(15)20)22-18(26)13-9-21-16-7-4-11(2)10-24(16)19(13)27/h3-10H,1H2,2H3,(H,22,26)(H,23,25)
InChIKeyHHBZCGMYMZRULY-UHFFFAOYSA-N
XLogP2.52
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878732
N-(4-bromophenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878735
N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 166404942
7-methyl-4-oxo-N-phenylpyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878724
N-(5-chloro-2-methylphenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878752
N-(2-fluoro-5-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51335432
7-methyl-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 37163110
5-bromo-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 166405393
5-amino-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 154838876
5-cyclopropyl-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 166403649
N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-methylindole-4-carboxamide
CID 166405453
7-methyl-N-[2-(methylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119500073

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 167951141) is N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is C=CC(=O)Nc1cc(NC(=O)c2cnc3ccc(C)cn3c2=O)ccc1F.
What is the InChIKey of N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is HHBZCGMYMZRULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O3/c1-3-17(25)23-15-8-12(5-6-14(15)20)22-18(26)13-9-21-16-7-4-11(2)10-24(16)19(13)27/h3-10H,1H2,2H3,(H,22,26)(H,23,25).
What are the key properties of N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 366.35 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 167951141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).