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

C33H34ClF2N5O3 — CID 176972290

IUPACN-[4-[4-chloro-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-cyclopropyl-2-pyridinyl]-5-[(cyclobutylmethylamino)methyl]-1-cyclopropyl-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1cc(-c2ccc(Cl)cc2C(=O)N2CC(F)(F)C2)cc(C2CC2)n1)c1cc(CNCC2CCC2)cn(C2CC2)c1=O
InChIInChI=1S/C33H34ClF2N5O3/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/h6,9-13,16,19,21,24,37H,1-5,7-8,14-15,17-18H2,(H,38,39,42)
InChIKeyVENZGOCLMPKDQC-UHFFFAOYSA-N
MW622.12 g/mol
LogP6.01
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

N-[4-[4-chloro-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-cyclopropyl-2-pyridinyl]-5-[(cyclobutylmethylamino)methyl]-1-cyclopropyl-2-oxopyridine-3-carboxamide (PubChem CID 176972290) has the molecular formula C33H34ClF2N5O3 and a molecular weight of 622.12 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.

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
PubChem CID176972290
Molecular FormulaC33H34ClF2N5O3
Molecular Weight622.12 g/mol
Exact Mass621.23
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
SMILESO=C(Nc1cc(-c2ccc(Cl)cc2C(=O)N2CC(F)(F)C2)cc(C2CC2)n1)c1cc(CNCC2CCC2)cn(C2CC2)c1=O
InChIInChI=1S/C33H34ClF2N5O3/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/h6,9-13,16,19,21,24,37H,1-5,7-8,14-15,17-18H2,(H,38,39,42)
InChIKeyVENZGOCLMPKDQC-UHFFFAOYSA-N
XLogP6.01
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.12
LogP ≤ 56.01
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 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?
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 (CID 176972290) 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.
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?
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 is 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?
The InChIKey is VENZGOCLMPKDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34ClF2N5O3/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/h6,9-13,16,19,21,24,37H,1-5,7-8,14-15,17-18H2,(H,38,39,42).
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?
N-[4-[4-chloro-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-cyclopropyl-2-pyridinyl]-5-[(cyclobutylmethylamino)methyl]-1-cyclopropyl-2-oxopyridine-3-carboxamide has a molecular weight of 622.12 g/mol, XLogP of 6.01, 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 is sourced from PubChem (CID 176972290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).