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

C32H25F2N5O4 — CID 66710669

IUPACN-[6-(4-cyanophenoxy)-2-methyl-3-pyridinyl]-6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
SMILESCc1nc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3F)CC2)nc1
InChIInChI=1S/C32H25F2N5O4/c1-19-27(10-11-29(37-19)43-24-6-2-20(17-35)3-7-24)38-31(41)22-4-9-28(36-18-22)32(42)39-14-12-21(13-15-39)30(40)25-8-5-23(33)16-26(25)34/h2-11,16,18,21H,12-15H2,1H3,(H,38,41)
InChIKeyFGKOOCQTYBWAPY-UHFFFAOYSA-N
MW581.58 g/mol
LogP5.71
Rot. Bonds7

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

N-[6-(4-cyanophenoxy)-2-methyl-3-pyridinyl]-6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide (PubChem CID 66710669) has the molecular formula C32H25F2N5O4 and a molecular weight of 581.58 g/mol. Its IUPAC name is N-[6-(4-cyanophenoxy)-2-methyl-3-pyridinyl]-6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(4-cyanophenoxy)-2-methyl-3-pyridinyl]-6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
PubChem CID66710669
Molecular FormulaC32H25F2N5O4
Molecular Weight581.58 g/mol
Exact Mass581.19
IUPAC NameN-[6-(4-cyanophenoxy)-2-methyl-3-pyridinyl]-6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
SMILESCc1nc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3F)CC2)nc1
InChIInChI=1S/C32H25F2N5O4/c1-19-27(10-11-29(37-19)43-24-6-2-20(17-35)3-7-24)38-31(41)22-4-9-28(36-18-22)32(42)39-14-12-21(13-15-39)30(40)25-8-5-23(33)16-26(25)34/h2-11,16,18,21H,12-15H2,1H3,(H,38,41)
InChIKeyFGKOOCQTYBWAPY-UHFFFAOYSA-N
XLogP5.71
TPSA125.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.58
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-(4-cyanophenoxy)-2-methyl-3-pyridinyl]-6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 66710581
4-[[6-methyl-5-[2-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]oxy]benzonitrile
CID 58073297
N-[6-(4-fluorophenoxy)-3-pyridinyl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 66710529
6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 66710283
4-[[5-[2-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]oxy]benzonitrile
CID 58073183
N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 56651341
N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxy-2-nitrosobenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 88583356
[4-[1-[6-[[6-(4-fluorophenoxy)-3-pyridinyl]carbamoyl]pyridine-3-carbonyl]piperidine-4-carbonyl]phenyl]methanesulfinic acid
CID 174696706
N-[4-(4-cyanophenoxy)hexyl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 123791285
N-[(3R,4R)-4-[(4-cyanophenyl)methyl]-3-fluoropiperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 66713813
5-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-2,5-dicarboxamide
CID 69165329
N-[(3S,4S)-1-[(4-cyano-3-fluorophenyl)methyl]-3-fluoropiperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 66710728

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-cyanophenoxy)-2-methyl-3-pyridinyl]-6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
The IUPAC name of N-[6-(4-cyanophenoxy)-2-methyl-3-pyridinyl]-6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide (CID 66710669) is N-[6-(4-cyanophenoxy)-2-methyl-3-pyridinyl]-6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[6-(4-cyanophenoxy)-2-methyl-3-pyridinyl]-6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
The canonical SMILES for N-[6-(4-cyanophenoxy)-2-methyl-3-pyridinyl]-6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide is Cc1nc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3F)CC2)nc1.
What is the InChIKey of N-[6-(4-cyanophenoxy)-2-methyl-3-pyridinyl]-6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
The InChIKey is FGKOOCQTYBWAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25F2N5O4/c1-19-27(10-11-29(37-19)43-24-6-2-20(17-35)3-7-24)38-31(41)22-4-9-28(36-18-22)32(42)39-14-12-21(13-15-39)30(40)25-8-5-23(33)16-26(25)34/h2-11,16,18,21H,12-15H2,1H3,(H,38,41).
What are the key properties of N-[6-(4-cyanophenoxy)-2-methyl-3-pyridinyl]-6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
N-[6-(4-cyanophenoxy)-2-methyl-3-pyridinyl]-6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide has a molecular weight of 581.58 g/mol, XLogP of 5.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-cyanophenoxy)-2-methyl-3-pyridinyl]-6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide is sourced from PubChem (CID 66710669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).