N-[4-[2-amino-5-[(E)-1-(ethylamino)prop-1-en-2-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide

C32H28F2N6O2 — CID 146431929

IUPACN-[4-[2-amino-5-[(E)-1-(ethylamino)prop-1-en-2-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide
SMILESCCN/C=C(\C)c1cnc(N)c(-c2ccc(NC(=O)c3cn(C4CC4)c(C#N)c(-c4ccc(F)cc4)c3=O)cc2F)c1
InChIInChI=1S/C32H28F2N6O2/c1-3-37-15-18(2)20-12-25(31(36)38-16-20)24-11-8-22(13-27(24)34)39-32(42)26-17-40(23-9-10-23)28(14-35)29(30(26)41)19-4-6-21(33)7-5-19/h4-8,11-13,15-17,23,37H,3,9-10H2,1-2H3,(H2,36,38)(H,39,42)/b18-15+
InChIKeyIVFVVCWMPGOKAG-OBGWFSINSA-N
MW566.61 g/mol
LogP5.87
Rot. Bonds8

About N-[4-[2-amino-5-[(E)-1-(ethylamino)prop-1-en-2-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide

N-[4-[2-amino-5-[(E)-1-(ethylamino)prop-1-en-2-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide (PubChem CID 146431929) has the molecular formula C32H28F2N6O2 and a molecular weight of 566.61 g/mol. Its IUPAC name is N-[4-[2-amino-5-[(E)-1-(ethylamino)prop-1-en-2-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-amino-5-[(E)-1-(ethylamino)prop-1-en-2-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide
PubChem CID146431929
Molecular FormulaC32H28F2N6O2
Molecular Weight566.61 g/mol
Exact Mass566.22
IUPAC NameN-[4-[2-amino-5-[(E)-1-(ethylamino)prop-1-en-2-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide
SMILESCCN/C=C(\C)c1cnc(N)c(-c2ccc(NC(=O)c3cn(C4CC4)c(C#N)c(-c4ccc(F)cc4)c3=O)cc2F)c1
InChIInChI=1S/C32H28F2N6O2/c1-3-37-15-18(2)20-12-25(31(36)38-16-20)24-11-8-22(13-27(24)34)39-32(42)26-17-40(23-9-10-23)28(14-35)29(30(26)41)19-4-6-21(33)7-5-19/h4-8,11-13,15-17,23,37H,3,9-10H2,1-2H3,(H2,36,38)(H,39,42)/b18-15+
InChIKeyIVFVVCWMPGOKAG-OBGWFSINSA-N
XLogP5.87
TPSA125.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.61
LogP ≤ 55.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-[2-amino-5-[(E)-1-(ethylamino)prop-1-en-2-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-amino-5-[(E)-1-(ethylamino)prop-1-en-2-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide?
The IUPAC name of N-[4-[2-amino-5-[(E)-1-(ethylamino)prop-1-en-2-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide (CID 146431929) is N-[4-[2-amino-5-[(E)-1-(ethylamino)prop-1-en-2-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[4-[2-amino-5-[(E)-1-(ethylamino)prop-1-en-2-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide?
The canonical SMILES for N-[4-[2-amino-5-[(E)-1-(ethylamino)prop-1-en-2-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide is CCN/C=C(\C)c1cnc(N)c(-c2ccc(NC(=O)c3cn(C4CC4)c(C#N)c(-c4ccc(F)cc4)c3=O)cc2F)c1.
What is the InChIKey of N-[4-[2-amino-5-[(E)-1-(ethylamino)prop-1-en-2-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide?
The InChIKey is IVFVVCWMPGOKAG-OBGWFSINSA-N. The full InChI is InChI=1S/C32H28F2N6O2/c1-3-37-15-18(2)20-12-25(31(36)38-16-20)24-11-8-22(13-27(24)34)39-32(42)26-17-40(23-9-10-23)28(14-35)29(30(26)41)19-4-6-21(33)7-5-19/h4-8,11-13,15-17,23,37H,3,9-10H2,1-2H3,(H2,36,38)(H,39,42)/b18-15+.
What are the key properties of N-[4-[2-amino-5-[(E)-1-(ethylamino)prop-1-en-2-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide?
N-[4-[2-amino-5-[(E)-1-(ethylamino)prop-1-en-2-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide has a molecular weight of 566.61 g/mol, XLogP of 5.87, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-amino-5-[(E)-1-(ethylamino)prop-1-en-2-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 146431929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).