N-[4-[4-chloro-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-cyclopropyl-2-pyridinyl]-5-[(cyclobutylmethylamino)methyl]-1-cyclopropyl-2-oxopyridine-3-carboxamide;ethane

C35H40ClF2N5O3 — CID 176972289

IUPACN-[4-[4-chloro-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-cyclopropyl-2-pyridinyl]-5-[(cyclobutylmethylamino)methyl]-1-cyclopropyl-2-oxopyridine-3-carboxamide;ethane
SMILESCC.O=C(Nc1cc(-c2ccc(Cl)cc2C(=O)N2CC(F)(F)C2)cc(C2CC2)n1)c1cc(CNCC2CCC2)cn(C2CC2)c1=O
InChIInChI=1S/C33H34ClF2N5O3.C2H6/c34-23-6-9-25(26(13-23)31(43)40-17-33(35,36)18-40)22-11-28(21-4-5-21)38-29(12-22)39-30(42)27-10-20(15-37-14-19-2-1-3-19)16-41(32(27)44)24-7-8-24;1-2/h6,9-13,16,19,21,24,37H,1-5,7-8,14-15,17-18H2,(H,38,39,42);1-2H3
InChIKeyDUISCDZCVQDDMV-UHFFFAOYSA-N
MW652.19 g/mol
LogP7.04
Rot. Bonds10

About N-[4-[4-chloro-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-cyclopropyl-2-pyridinyl]-5-[(cyclobutylmethylamino)methyl]-1-cyclopropyl-2-oxopyridine-3-carboxamide;ethane

N-[4-[4-chloro-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-cyclopropyl-2-pyridinyl]-5-[(cyclobutylmethylamino)methyl]-1-cyclopropyl-2-oxopyridine-3-carboxamide;ethane (PubChem CID 176972289) has the molecular formula C35H40ClF2N5O3 and a molecular weight of 652.19 g/mol. Its IUPAC name is N-[4-[4-chloro-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-cyclopropyl-2-pyridinyl]-5-[(cyclobutylmethylamino)methyl]-1-cyclopropyl-2-oxopyridine-3-carboxamide;ethane.

Molecular Properties

Compound NameN-[4-[4-chloro-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-cyclopropyl-2-pyridinyl]-5-[(cyclobutylmethylamino)methyl]-1-cyclopropyl-2-oxopyridine-3-carboxamide;ethane
PubChem CID176972289
Molecular FormulaC35H40ClF2N5O3
Molecular Weight652.19 g/mol
Exact Mass651.28
IUPAC NameN-[4-[4-chloro-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-cyclopropyl-2-pyridinyl]-5-[(cyclobutylmethylamino)methyl]-1-cyclopropyl-2-oxopyridine-3-carboxamide;ethane
SMILESCC.O=C(Nc1cc(-c2ccc(Cl)cc2C(=O)N2CC(F)(F)C2)cc(C2CC2)n1)c1cc(CNCC2CCC2)cn(C2CC2)c1=O
InChIInChI=1S/C33H34ClF2N5O3.C2H6/c34-23-6-9-25(26(13-23)31(43)40-17-33(35,36)18-40)22-11-28(21-4-5-21)38-29(12-22)39-30(42)27-10-20(15-37-14-19-2-1-3-19)16-41(32(27)44)24-7-8-24;1-2/h6,9-13,16,19,21,24,37H,1-5,7-8,14-15,17-18H2,(H,38,39,42);1-2H3
InChIKeyDUISCDZCVQDDMV-UHFFFAOYSA-N
XLogP7.04
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.19
LogP ≤ 57.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[4-chloro-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-cyclopropyl-2-pyridinyl]-5-[(cyclobutylmethylamino)methyl]-1-cyclopropyl-2-oxopyridine-3-carboxamide;ethane 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)phenyl]-6-cyclopropyl-2-pyridinyl]-5-[(cyclobutylmethylamino)methyl]-1-cyclopropyl-2-oxopyridine-3-carboxamide;ethane?
The IUPAC name of N-[4-[4-chloro-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-cyclopropyl-2-pyridinyl]-5-[(cyclobutylmethylamino)methyl]-1-cyclopropyl-2-oxopyridine-3-carboxamide;ethane (CID 176972289) is N-[4-[4-chloro-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-cyclopropyl-2-pyridinyl]-5-[(cyclobutylmethylamino)methyl]-1-cyclopropyl-2-oxopyridine-3-carboxamide;ethane.
What is the SMILES notation for N-[4-[4-chloro-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-cyclopropyl-2-pyridinyl]-5-[(cyclobutylmethylamino)methyl]-1-cyclopropyl-2-oxopyridine-3-carboxamide;ethane?
The canonical SMILES for N-[4-[4-chloro-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-cyclopropyl-2-pyridinyl]-5-[(cyclobutylmethylamino)methyl]-1-cyclopropyl-2-oxopyridine-3-carboxamide;ethane is CC.O=C(Nc1cc(-c2ccc(Cl)cc2C(=O)N2CC(F)(F)C2)cc(C2CC2)n1)c1cc(CNCC2CCC2)cn(C2CC2)c1=O.
What is the InChIKey of N-[4-[4-chloro-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-cyclopropyl-2-pyridinyl]-5-[(cyclobutylmethylamino)methyl]-1-cyclopropyl-2-oxopyridine-3-carboxamide;ethane?
The InChIKey is DUISCDZCVQDDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34ClF2N5O3.C2H6/c34-23-6-9-25(26(13-23)31(43)40-17-33(35,36)18-40)22-11-28(21-4-5-21)38-29(12-22)39-30(42)27-10-20(15-37-14-19-2-1-3-19)16-41(32(27)44)24-7-8-24;1-2/h6,9-13,16,19,21,24,37H,1-5,7-8,14-15,17-18H2,(H,38,39,42);1-2H3.
What are the key properties of N-[4-[4-chloro-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-cyclopropyl-2-pyridinyl]-5-[(cyclobutylmethylamino)methyl]-1-cyclopropyl-2-oxopyridine-3-carboxamide;ethane?
N-[4-[4-chloro-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-cyclopropyl-2-pyridinyl]-5-[(cyclobutylmethylamino)methyl]-1-cyclopropyl-2-oxopyridine-3-carboxamide;ethane has a molecular weight of 652.19 g/mol, XLogP of 7.04, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-chloro-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-cyclopropyl-2-pyridinyl]-5-[(cyclobutylmethylamino)methyl]-1-cyclopropyl-2-oxopyridine-3-carboxamide;ethane is sourced from PubChem (CID 176972289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).