N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide

C26H25ClN4O3 — CID 46690243

IUPACN-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide
SMILESCCOc1ccc(Oc2ccc(Cl)cc2NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)cc1
InChIInChI=1S/C26H25ClN4O3/c1-2-33-21-5-7-22(8-6-21)34-24-9-4-20(27)15-23(24)30-26(32)19-11-13-31(14-12-19)25-10-3-18(16-28)17-29-25/h3-10,15,17,19H,2,11-14H2,1H3,(H,30,32)
InChIKeyCLQCBTOIMNCQES-UHFFFAOYSA-N
MW476.96 g/mol
LogP5.65
Rot. Bonds7

About N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide

N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 46690243) has the molecular formula C26H25ClN4O3 and a molecular weight of 476.96 g/mol. Its IUPAC name is N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide
PubChem CID46690243
Molecular FormulaC26H25ClN4O3
Molecular Weight476.96 g/mol
Exact Mass476.16
IUPAC NameN-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide
SMILESCCOc1ccc(Oc2ccc(Cl)cc2NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)cc1
InChIInChI=1S/C26H25ClN4O3/c1-2-33-21-5-7-22(8-6-21)34-24-9-4-20(27)15-23(24)30-26(32)19-11-13-31(14-12-19)25-10-3-18(16-28)17-29-25/h3-10,15,17,19H,2,11-14H2,1H3,(H,30,32)
InChIKeyCLQCBTOIMNCQES-UHFFFAOYSA-N
XLogP5.65
TPSA87.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.96
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46820076
1-(5-cyano-2-pyridinyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 17443908
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
(3S)-N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 52577868
1-(5-cyano-2-pyridinyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 17438163
1-(5-cyano-2-pyridinyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 51314226
1-(5-cyano-2-pyridinyl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 16594024
1-(5-cyano-2-pyridinyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 16588037
1-(5-cyano-2-pyridinyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide
CID 46432232
N-(5-chloro-2-ethoxyphenyl)piperidine-4-carboxamide
CID 54862625
1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 47137770
1-(5-cyano-2-pyridinyl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
CID 46525465

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide (CID 46690243) is N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide is CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)cc1.
What is the InChIKey of N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is CLQCBTOIMNCQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O3/c1-2-33-21-5-7-22(8-6-21)34-24-9-4-20(27)15-23(24)30-26(32)19-11-13-31(14-12-19)25-10-3-18(16-28)17-29-25/h3-10,15,17,19H,2,11-14H2,1H3,(H,30,32).
What are the key properties of N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide?
N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 476.96 g/mol, XLogP of 5.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 46690243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).