N-[4-[4-chloro-2-(3,3-difluoroazetidine-1-carbonyl)-6-fluorophenyl]-6-cyclopropyl-2-pyridinyl]-1-cyclopropyl-5-ethenyl-2-oxopyridine-3-carboxamide

C29H24ClF3N4O3 — CID 176972269

IUPACN-[4-[4-chloro-2-(3,3-difluoroazetidine-1-carbonyl)-6-fluorophenyl]-6-cyclopropyl-2-pyridinyl]-1-cyclopropyl-5-ethenyl-2-oxopyridine-3-carboxamide
SMILESC=Cc1cc(C(=O)Nc2cc(-c3c(F)cc(Cl)cc3C(=O)N3CC(F)(F)C3)cc(C3CC3)n2)c(=O)n(C2CC2)c1
InChIInChI=1S/C29H24ClF3N4O3/c1-2-15-7-21(28(40)37(12-15)19-5-6-19)26(38)35-24-9-17(8-23(34-24)16-3-4-16)25-20(10-18(30)11-22(25)31)27(39)36-13-29(32,33)14-36/h2,7-12,16,19H,1,3-6,13-14H2,(H,34,35,38)
InChIKeyLQQBLUQQMSABPR-UHFFFAOYSA-N
MW568.98 g/mol
LogP5.90
Rot. Bonds7

About N-[4-[4-chloro-2-(3,3-difluoroazetidine-1-carbonyl)-6-fluorophenyl]-6-cyclopropyl-2-pyridinyl]-1-cyclopropyl-5-ethenyl-2-oxopyridine-3-carboxamide

N-[4-[4-chloro-2-(3,3-difluoroazetidine-1-carbonyl)-6-fluorophenyl]-6-cyclopropyl-2-pyridinyl]-1-cyclopropyl-5-ethenyl-2-oxopyridine-3-carboxamide (PubChem CID 176972269) has the molecular formula C29H24ClF3N4O3 and a molecular weight of 568.98 g/mol. Its IUPAC name is N-[4-[4-chloro-2-(3,3-difluoroazetidine-1-carbonyl)-6-fluorophenyl]-6-cyclopropyl-2-pyridinyl]-1-cyclopropyl-5-ethenyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-chloro-2-(3,3-difluoroazetidine-1-carbonyl)-6-fluorophenyl]-6-cyclopropyl-2-pyridinyl]-1-cyclopropyl-5-ethenyl-2-oxopyridine-3-carboxamide
PubChem CID176972269
Molecular FormulaC29H24ClF3N4O3
Molecular Weight568.98 g/mol
Exact Mass568.15
IUPAC NameN-[4-[4-chloro-2-(3,3-difluoroazetidine-1-carbonyl)-6-fluorophenyl]-6-cyclopropyl-2-pyridinyl]-1-cyclopropyl-5-ethenyl-2-oxopyridine-3-carboxamide
SMILESC=Cc1cc(C(=O)Nc2cc(-c3c(F)cc(Cl)cc3C(=O)N3CC(F)(F)C3)cc(C3CC3)n2)c(=O)n(C2CC2)c1
InChIInChI=1S/C29H24ClF3N4O3/c1-2-15-7-21(28(40)37(12-15)19-5-6-19)26(38)35-24-9-17(8-23(34-24)16-3-4-16)25-20(10-18(30)11-22(25)31)27(39)36-13-29(32,33)14-36/h2,7-12,16,19H,1,3-6,13-14H2,(H,34,35,38)
InChIKeyLQQBLUQQMSABPR-UHFFFAOYSA-N
XLogP5.90
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.98
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[4-chloro-2-(3,3-difluoroazetidine-1-carbonyl)-6-fluorophenyl]-6-cyclopropyl-2-pyridinyl]-1-cyclopropyl-5-ethenyl-2-oxopyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-chloro-2-(3,3-difluoroazetidine-1-carbonyl)-6-fluorophenyl]-6-cyclopropyl-2-pyridinyl]-1-cyclopropyl-5-ethenyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[4-[4-chloro-2-(3,3-difluoroazetidine-1-carbonyl)-6-fluorophenyl]-6-cyclopropyl-2-pyridinyl]-1-cyclopropyl-5-ethenyl-2-oxopyridine-3-carboxamide (CID 176972269) is N-[4-[4-chloro-2-(3,3-difluoroazetidine-1-carbonyl)-6-fluorophenyl]-6-cyclopropyl-2-pyridinyl]-1-cyclopropyl-5-ethenyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[4-[4-chloro-2-(3,3-difluoroazetidine-1-carbonyl)-6-fluorophenyl]-6-cyclopropyl-2-pyridinyl]-1-cyclopropyl-5-ethenyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[4-[4-chloro-2-(3,3-difluoroazetidine-1-carbonyl)-6-fluorophenyl]-6-cyclopropyl-2-pyridinyl]-1-cyclopropyl-5-ethenyl-2-oxopyridine-3-carboxamide is C=Cc1cc(C(=O)Nc2cc(-c3c(F)cc(Cl)cc3C(=O)N3CC(F)(F)C3)cc(C3CC3)n2)c(=O)n(C2CC2)c1.
What is the InChIKey of N-[4-[4-chloro-2-(3,3-difluoroazetidine-1-carbonyl)-6-fluorophenyl]-6-cyclopropyl-2-pyridinyl]-1-cyclopropyl-5-ethenyl-2-oxopyridine-3-carboxamide?
The InChIKey is LQQBLUQQMSABPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClF3N4O3/c1-2-15-7-21(28(40)37(12-15)19-5-6-19)26(38)35-24-9-17(8-23(34-24)16-3-4-16)25-20(10-18(30)11-22(25)31)27(39)36-13-29(32,33)14-36/h2,7-12,16,19H,1,3-6,13-14H2,(H,34,35,38).
What are the key properties of N-[4-[4-chloro-2-(3,3-difluoroazetidine-1-carbonyl)-6-fluorophenyl]-6-cyclopropyl-2-pyridinyl]-1-cyclopropyl-5-ethenyl-2-oxopyridine-3-carboxamide?
N-[4-[4-chloro-2-(3,3-difluoroazetidine-1-carbonyl)-6-fluorophenyl]-6-cyclopropyl-2-pyridinyl]-1-cyclopropyl-5-ethenyl-2-oxopyridine-3-carboxamide has a molecular weight of 568.98 g/mol, XLogP of 5.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-chloro-2-(3,3-difluoroazetidine-1-carbonyl)-6-fluorophenyl]-6-cyclopropyl-2-pyridinyl]-1-cyclopropyl-5-ethenyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 176972269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).