4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-[(2-methoxypyridine-3-carbonyl)amino]-N,N-dimethylpyridine-2-carboxamide

C26H27F2N5O4 — CID 135349311

IUPAC4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-[(2-methoxypyridine-3-carbonyl)amino]-N,N-dimethylpyridine-2-carboxamide
SMILESCOc1ncccc1C(=O)Nc1cnc(C(=O)N(C)C)cc1N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C26H27F2N5O4/c1-32(2)26(35)20-14-22(21(15-30-20)31-24(34)18-5-4-10-29-25(18)36-3)33-11-8-17(9-12-33)37-23-7-6-16(27)13-19(23)28/h4-7,10,13-15,17H,8-9,11-12H2,1-3H3,(H,31,34)
InChIKeyBZWZIHDBTPHSPG-UHFFFAOYSA-N
MW511.53 g/mol
LogP3.77
Rot. Bonds7

About 4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-[(2-methoxypyridine-3-carbonyl)amino]-N,N-dimethylpyridine-2-carboxamide

4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-[(2-methoxypyridine-3-carbonyl)amino]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 135349311) has the molecular formula C26H27F2N5O4 and a molecular weight of 511.53 g/mol. Its IUPAC name is 4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-[(2-methoxypyridine-3-carbonyl)amino]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-[(2-methoxypyridine-3-carbonyl)amino]-N,N-dimethylpyridine-2-carboxamide
PubChem CID135349311
Molecular FormulaC26H27F2N5O4
Molecular Weight511.53 g/mol
Exact Mass511.20
IUPAC Name4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-[(2-methoxypyridine-3-carbonyl)amino]-N,N-dimethylpyridine-2-carboxamide
SMILESCOc1ncccc1C(=O)Nc1cnc(C(=O)N(C)C)cc1N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C26H27F2N5O4/c1-32(2)26(35)20-14-22(21(15-30-20)31-24(34)18-5-4-10-29-25(18)36-3)33-11-8-17(9-12-33)37-23-7-6-16(27)13-19(23)28/h4-7,10,13-15,17H,8-9,11-12H2,1-3H3,(H,31,34)
InChIKeyBZWZIHDBTPHSPG-UHFFFAOYSA-N
XLogP3.77
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.53
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-[(2-methoxypyridine-3-carbonyl)amino]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-[(2-methoxypyridine-3-carbonyl)amino]-N,N-dimethylpyridine-2-carboxamide (CID 135349311) is 4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-[(2-methoxypyridine-3-carbonyl)amino]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-[(2-methoxypyridine-3-carbonyl)amino]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-[(2-methoxypyridine-3-carbonyl)amino]-N,N-dimethylpyridine-2-carboxamide is COc1ncccc1C(=O)Nc1cnc(C(=O)N(C)C)cc1N1CCC(Oc2ccc(F)cc2F)CC1.
What is the InChIKey of 4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-[(2-methoxypyridine-3-carbonyl)amino]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is BZWZIHDBTPHSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N5O4/c1-32(2)26(35)20-14-22(21(15-30-20)31-24(34)18-5-4-10-29-25(18)36-3)33-11-8-17(9-12-33)37-23-7-6-16(27)13-19(23)28/h4-7,10,13-15,17H,8-9,11-12H2,1-3H3,(H,31,34).
What are the key properties of 4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-[(2-methoxypyridine-3-carbonyl)amino]-N,N-dimethylpyridine-2-carboxamide?
4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-[(2-methoxypyridine-3-carbonyl)amino]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 511.53 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-[(2-methoxypyridine-3-carbonyl)amino]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 135349311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).