6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-N-[6-[4-(dimethylcarbamoyl)phenoxy]-3-pyridinyl]pyridine-3-carboxamide

C33H29F2N5O5 — CID 66710329

IUPAC6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-N-[6-[4-(dimethylcarbamoyl)phenoxy]-3-pyridinyl]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(Oc2ccc(NC(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(F)cc5F)CC4)nc3)cn2)cc1
InChIInChI=1S/C33H29F2N5O5/c1-39(2)32(43)21-3-8-25(9-4-21)45-29-12-7-24(19-37-29)38-31(42)22-5-11-28(36-18-22)33(44)40-15-13-20(14-16-40)30(41)26-10-6-23(34)17-27(26)35/h3-12,17-20H,13-16H2,1-2H3,(H,38,42)
InChIKeyCSMZDTSEHGVTML-UHFFFAOYSA-N
MW613.62 g/mol
LogP5.24
Rot. Bonds8

About 6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-N-[6-[4-(dimethylcarbamoyl)phenoxy]-3-pyridinyl]pyridine-3-carboxamide

6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-N-[6-[4-(dimethylcarbamoyl)phenoxy]-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 66710329) has the molecular formula C33H29F2N5O5 and a molecular weight of 613.62 g/mol. Its IUPAC name is 6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-N-[6-[4-(dimethylcarbamoyl)phenoxy]-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-N-[6-[4-(dimethylcarbamoyl)phenoxy]-3-pyridinyl]pyridine-3-carboxamide
PubChem CID66710329
Molecular FormulaC33H29F2N5O5
Molecular Weight613.62 g/mol
Exact Mass613.21
IUPAC Name6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-N-[6-[4-(dimethylcarbamoyl)phenoxy]-3-pyridinyl]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(Oc2ccc(NC(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(F)cc5F)CC4)nc3)cn2)cc1
InChIInChI=1S/C33H29F2N5O5/c1-39(2)32(43)21-3-8-25(9-4-21)45-29-12-7-24(19-37-29)38-31(42)22-5-11-28(36-18-22)33(44)40-15-13-20(14-16-40)30(41)26-10-6-23(34)17-27(26)35/h3-12,17-20H,13-16H2,1-2H3,(H,38,42)
InChIKeyCSMZDTSEHGVTML-UHFFFAOYSA-N
XLogP5.24
TPSA121.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.62
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-N-[6-[4-(dimethylcarbamoyl)phenoxy]-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-N-[6-[4-(dimethylcarbamoyl)phenoxy]-3-pyridinyl]pyridine-3-carboxamide (CID 66710329) is 6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-N-[6-[4-(dimethylcarbamoyl)phenoxy]-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-N-[6-[4-(dimethylcarbamoyl)phenoxy]-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-N-[6-[4-(dimethylcarbamoyl)phenoxy]-3-pyridinyl]pyridine-3-carboxamide is CN(C)C(=O)c1ccc(Oc2ccc(NC(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(F)cc5F)CC4)nc3)cn2)cc1.
What is the InChIKey of 6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-N-[6-[4-(dimethylcarbamoyl)phenoxy]-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is CSMZDTSEHGVTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29F2N5O5/c1-39(2)32(43)21-3-8-25(9-4-21)45-29-12-7-24(19-37-29)38-31(42)22-5-11-28(36-18-22)33(44)40-15-13-20(14-16-40)30(41)26-10-6-23(34)17-27(26)35/h3-12,17-20H,13-16H2,1-2H3,(H,38,42).
What are the key properties of 6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-N-[6-[4-(dimethylcarbamoyl)phenoxy]-3-pyridinyl]pyridine-3-carboxamide?
6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-N-[6-[4-(dimethylcarbamoyl)phenoxy]-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 613.62 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-N-[6-[4-(dimethylcarbamoyl)phenoxy]-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 66710329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).