N-[4-[[2-amino-3-(3-aminoprop-1-ynyl)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

C26H19F2N5O3 — CID 25218739

IUPACN-[4-[[2-amino-3-(3-aminoprop-1-ynyl)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESNCC#Cc1c(Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)ccnc1N
InChIInChI=1S/C26H19F2N5O3/c27-16-5-8-18(9-6-16)33-14-2-4-20(26(33)35)25(34)32-17-7-10-23(21(28)15-17)36-22-11-13-31-24(30)19(22)3-1-12-29/h2,4-11,13-15H,12,29H2,(H2,30,31)(H,32,34)
InChIKeyZMVUCPKYWUYPIX-UHFFFAOYSA-N
MW487.47 g/mol
LogP3.45
Rot. Bonds5

About N-[4-[[2-amino-3-(3-aminoprop-1-ynyl)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

N-[4-[[2-amino-3-(3-aminoprop-1-ynyl)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 25218739) has the molecular formula C26H19F2N5O3 and a molecular weight of 487.47 g/mol. Its IUPAC name is N-[4-[[2-amino-3-(3-aminoprop-1-ynyl)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-amino-3-(3-aminoprop-1-ynyl)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
PubChem CID25218739
Molecular FormulaC26H19F2N5O3
Molecular Weight487.47 g/mol
Exact Mass487.15
IUPAC NameN-[4-[[2-amino-3-(3-aminoprop-1-ynyl)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESNCC#Cc1c(Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)ccnc1N
InChIInChI=1S/C26H19F2N5O3/c27-16-5-8-18(9-6-16)33-14-2-4-20(26(33)35)25(34)32-17-7-10-23(21(28)15-17)36-22-11-13-31-24(30)19(22)3-1-12-29/h2,4-11,13-15H,12,29H2,(H2,30,31)(H,32,34)
InChIKeyZMVUCPKYWUYPIX-UHFFFAOYSA-N
XLogP3.45
TPSA125.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.47
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-amino-3-(3-aminoprop-1-ynyl)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[4-[[2-amino-3-(3-aminoprop-1-ynyl)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (CID 25218739) is N-[4-[[2-amino-3-(3-aminoprop-1-ynyl)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[4-[[2-amino-3-(3-aminoprop-1-ynyl)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[4-[[2-amino-3-(3-aminoprop-1-ynyl)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is NCC#Cc1c(Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)ccnc1N.
What is the InChIKey of N-[4-[[2-amino-3-(3-aminoprop-1-ynyl)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The InChIKey is ZMVUCPKYWUYPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N5O3/c27-16-5-8-18(9-6-16)33-14-2-4-20(26(33)35)25(34)32-17-7-10-23(21(28)15-17)36-22-11-13-31-24(30)19(22)3-1-12-29/h2,4-11,13-15H,12,29H2,(H2,30,31)(H,32,34).
What are the key properties of N-[4-[[2-amino-3-(3-aminoprop-1-ynyl)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
N-[4-[[2-amino-3-(3-aminoprop-1-ynyl)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 487.47 g/mol, XLogP of 3.45, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-amino-3-(3-aminoprop-1-ynyl)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 25218739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).