1-[5-[[(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoyl]amino]-2-pyridinyl]piperidine-3-carboxamide

C23H26F2N4O4 — CID 55701062

IUPAC1-[5-[[(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESCCOc1cc(/C=C/C(=O)Nc2ccc(N3CCCC(C(N)=O)C3)nc2)ccc1OC(F)F
InChIInChI=1S/C23H26F2N4O4/c1-2-32-19-12-15(5-8-18(19)33-23(24)25)6-10-21(30)28-17-7-9-20(27-13-17)29-11-3-4-16(14-29)22(26)31/h5-10,12-13,16,23H,2-4,11,14H2,1H3,(H2,26,31)(H,28,30)/b10-6+
InChIKeyVEFWJMIPTZFOEM-UXBLZVDNSA-N
MW460.48 g/mol
LogP3.44
Rot. Bonds9

About 1-[5-[[(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoyl]amino]-2-pyridinyl]piperidine-3-carboxamide

1-[5-[[(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoyl]amino]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 55701062) has the molecular formula C23H26F2N4O4 and a molecular weight of 460.48 g/mol. Its IUPAC name is 1-[5-[[(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoyl]amino]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-[[(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID55701062
Molecular FormulaC23H26F2N4O4
Molecular Weight460.48 g/mol
Exact Mass460.19
IUPAC Name1-[5-[[(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESCCOc1cc(/C=C/C(=O)Nc2ccc(N3CCCC(C(N)=O)C3)nc2)ccc1OC(F)F
InChIInChI=1S/C23H26F2N4O4/c1-2-32-19-12-15(5-8-18(19)33-23(24)25)6-10-21(30)28-17-7-9-20(27-13-17)29-11-3-4-16(14-29)22(26)31/h5-10,12-13,16,23H,2-4,11,14H2,1H3,(H2,26,31)(H,28,30)/b10-6+
InChIKeyVEFWJMIPTZFOEM-UXBLZVDNSA-N
XLogP3.44
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.48
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(4-fluorophenyl)prop-2-enamide
CID 8744762
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-pyridin-4-ylprop-2-enamide
CID 39953641
(E)-N-(2-cyclopentylpyrazol-3-yl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide
CID 55337457
(E)-3-[2-(difluoromethoxy)phenyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)prop-2-enamide
CID 38853151
1-[5-[[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55970201
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 31403059
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[4-(pyridin-4-ylmethyl)phenyl]prop-2-enamide
CID 46693005
3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]prop-2-enamide
CID 55906567
N-[2-[[(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoyl]amino]ethyl]cyclopropanecarboxamide
CID 51153100
N-[4-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide
CID 41265772
N-[3-(azepan-1-yl)propyl]-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide
CID 76858469
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(1-methylsulfonylpiperidin-4-yl)prop-2-enamide
CID 46566499

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of 1-[5-[[(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoyl]amino]-2-pyridinyl]piperidine-3-carboxamide (CID 55701062) is 1-[5-[[(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoyl]amino]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-[[(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[5-[[(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoyl]amino]-2-pyridinyl]piperidine-3-carboxamide is CCOc1cc(/C=C/C(=O)Nc2ccc(N3CCCC(C(N)=O)C3)nc2)ccc1OC(F)F.
What is the InChIKey of 1-[5-[[(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is VEFWJMIPTZFOEM-UXBLZVDNSA-N. The full InChI is InChI=1S/C23H26F2N4O4/c1-2-32-19-12-15(5-8-18(19)33-23(24)25)6-10-21(30)28-17-7-9-20(27-13-17)29-11-3-4-16(14-29)22(26)31/h5-10,12-13,16,23H,2-4,11,14H2,1H3,(H2,26,31)(H,28,30)/b10-6+.
What are the key properties of 1-[5-[[(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
1-[5-[[(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoyl]amino]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 460.48 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoyl]amino]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 55701062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).