3-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-methylpyridine-2-carboxamide

C24H21F2N5O2 — CID 135349444

IUPAC3-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-methylpyridine-2-carboxamide
SMILESCc1ccc(-c2cc(C#N)cnc2N2CCC(Oc3ccc(F)cc3F)CC2)c(C(N)=O)n1
InChIInChI=1S/C24H21F2N5O2/c1-14-2-4-18(22(30-14)23(28)32)19-10-15(12-27)13-29-24(19)31-8-6-17(7-9-31)33-21-5-3-16(25)11-20(21)26/h2-5,10-11,13,17H,6-9H2,1H3,(H2,28,32)
InChIKeyADLYDPITVQYURX-UHFFFAOYSA-N
MW449.46 g/mol
LogP3.75
Rot. Bonds5

About 3-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-methylpyridine-2-carboxamide

3-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-methylpyridine-2-carboxamide (PubChem CID 135349444) has the molecular formula C24H21F2N5O2 and a molecular weight of 449.46 g/mol. Its IUPAC name is 3-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-methylpyridine-2-carboxamide
PubChem CID135349444
Molecular FormulaC24H21F2N5O2
Molecular Weight449.46 g/mol
Exact Mass449.17
IUPAC Name3-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-methylpyridine-2-carboxamide
SMILESCc1ccc(-c2cc(C#N)cnc2N2CCC(Oc3ccc(F)cc3F)CC2)c(C(N)=O)n1
InChIInChI=1S/C24H21F2N5O2/c1-14-2-4-18(22(30-14)23(28)32)19-10-15(12-27)13-29-24(19)31-8-6-17(7-9-31)33-21-5-3-16(25)11-20(21)26/h2-5,10-11,13,17H,6-9H2,1H3,(H2,28,32)
InChIKeyADLYDPITVQYURX-UHFFFAOYSA-N
XLogP3.75
TPSA105.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-methylpyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-amino-N-[4-(2-amino-6-methoxy-4-pyridinyl)-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 68184638
N-[4-[(2R,5R)-5-[(4-cyano-3-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-5-phenyl-2-pyridinyl]acetamide
CID 137645716
N-[6-[(2R,5R)-5-[(4-cyano-3-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-5-phenyl-2-pyridinyl]acetamide
CID 137650367
N-[(2S)-1-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]-4-methyl-1-oxopentan-2-yl]pyridine-2-carboxamide
CID 57407347
N-[5-cyano-4-[3-(dimethylamino)-2,2-dimethylpropoxy]pyridin-2-yl]-6-(difluoromethyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118037118
7-formyl-N-[5-[2-(3-methoxyphenyl)ethyl]-4-propan-2-yloxy-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 166626969
7-formyl-N-[5-[2-(3-methoxyphenyl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 166632070
4-({[6-amino-3,5-dicyano-4-(4-fluorophenyl)pyridin-2-yl]oxy}methyl)-N-methylpyridine-2-carboxamide
CID 66631060
4-[[3,5-dicyano-6-(3-hydroxyazetidin-1-yl)-4-phenyl-2-pyridinyl]oxymethyl]-N-methylpyridine-2-carboxamide
CID 66631651
N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-6-[[[2-(dimethylamino)acetyl]-methylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036626
5-(2-methoxyphenyl)-N-(6-methylpyridin-2-yl)picolinamide
CID 44440734
N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 166628605

Frequently Asked Questions

What is the IUPAC name of 3-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of 3-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-methylpyridine-2-carboxamide (CID 135349444) is 3-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for 3-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for 3-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-methylpyridine-2-carboxamide is Cc1ccc(-c2cc(C#N)cnc2N2CCC(Oc3ccc(F)cc3F)CC2)c(C(N)=O)n1.
What is the InChIKey of 3-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-methylpyridine-2-carboxamide?
The InChIKey is ADLYDPITVQYURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O2/c1-14-2-4-18(22(30-14)23(28)32)19-10-15(12-27)13-29-24(19)31-8-6-17(7-9-31)33-21-5-3-16(25)11-20(21)26/h2-5,10-11,13,17H,6-9H2,1H3,(H2,28,32).
What are the key properties of 3-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-methylpyridine-2-carboxamide?
3-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-methylpyridine-2-carboxamide has a molecular weight of 449.46 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 135349444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).