4-[[1-(3,4-difluoro-2-methoxyphenyl)cyclobutanecarbonyl]amino]pyridine-2-carboxamide

C18H17F2N3O3 — CID 176860446

IUPAC4-[[1-(3,4-difluoro-2-methoxyphenyl)cyclobutanecarbonyl]amino]pyridine-2-carboxamide
SMILESCOc1c(C2(C(=O)Nc3ccnc(C(N)=O)c3)CCC2)ccc(F)c1F
InChIInChI=1S/C18H17F2N3O3/c1-26-15-11(3-4-12(19)14(15)20)18(6-2-7-18)17(25)23-10-5-8-22-13(9-10)16(21)24/h3-5,8-9H,2,6-7H2,1H3,(H2,21,24)(H,22,23,25)
InChIKeyDTQWLCNEIZLBFX-UHFFFAOYSA-N
MW361.35 g/mol
LogP2.53
Rot. Bonds5

About 4-[[1-(3,4-difluoro-2-methoxyphenyl)cyclobutanecarbonyl]amino]pyridine-2-carboxamide

4-[[1-(3,4-difluoro-2-methoxyphenyl)cyclobutanecarbonyl]amino]pyridine-2-carboxamide (PubChem CID 176860446) has the molecular formula C18H17F2N3O3 and a molecular weight of 361.35 g/mol. Its IUPAC name is 4-[[1-(3,4-difluoro-2-methoxyphenyl)cyclobutanecarbonyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[1-(3,4-difluoro-2-methoxyphenyl)cyclobutanecarbonyl]amino]pyridine-2-carboxamide
PubChem CID176860446
Molecular FormulaC18H17F2N3O3
Molecular Weight361.35 g/mol
Exact Mass361.12
IUPAC Name4-[[1-(3,4-difluoro-2-methoxyphenyl)cyclobutanecarbonyl]amino]pyridine-2-carboxamide
SMILESCOc1c(C2(C(=O)Nc3ccnc(C(N)=O)c3)CCC2)ccc(F)c1F
InChIInChI=1S/C18H17F2N3O3/c1-26-15-11(3-4-12(19)14(15)20)18(6-2-7-18)17(25)23-10-5-8-22-13(9-10)16(21)24/h3-5,8-9H,2,6-7H2,1H3,(H2,21,24)(H,22,23,25)
InChIKeyDTQWLCNEIZLBFX-UHFFFAOYSA-N
XLogP2.53
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3,4-difluoro-2-methoxyphenyl)cyclobutanecarbonyl]amino]pyridine-2-carboxamide?
The IUPAC name of 4-[[1-(3,4-difluoro-2-methoxyphenyl)cyclobutanecarbonyl]amino]pyridine-2-carboxamide (CID 176860446) is 4-[[1-(3,4-difluoro-2-methoxyphenyl)cyclobutanecarbonyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[1-(3,4-difluoro-2-methoxyphenyl)cyclobutanecarbonyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[[1-(3,4-difluoro-2-methoxyphenyl)cyclobutanecarbonyl]amino]pyridine-2-carboxamide is COc1c(C2(C(=O)Nc3ccnc(C(N)=O)c3)CCC2)ccc(F)c1F.
What is the InChIKey of 4-[[1-(3,4-difluoro-2-methoxyphenyl)cyclobutanecarbonyl]amino]pyridine-2-carboxamide?
The InChIKey is DTQWLCNEIZLBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O3/c1-26-15-11(3-4-12(19)14(15)20)18(6-2-7-18)17(25)23-10-5-8-22-13(9-10)16(21)24/h3-5,8-9H,2,6-7H2,1H3,(H2,21,24)(H,22,23,25).
What are the key properties of 4-[[1-(3,4-difluoro-2-methoxyphenyl)cyclobutanecarbonyl]amino]pyridine-2-carboxamide?
4-[[1-(3,4-difluoro-2-methoxyphenyl)cyclobutanecarbonyl]amino]pyridine-2-carboxamide has a molecular weight of 361.35 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3,4-difluoro-2-methoxyphenyl)cyclobutanecarbonyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 176860446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).