2-[2-(4-cyanophenyl)ethylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(2-methyltriazol-4-yl)-2-pyridinyl]acetamide

C25H25N7O — CID 155597372

IUPAC2-[2-(4-cyanophenyl)ethylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(2-methyltriazol-4-yl)-2-pyridinyl]acetamide
SMILESCn1ncc(-c2ccc(NC(=O)C(NCCc3ccc(C#N)cc3)C3=CCCC=C3)nc2)n1
InChIInChI=1S/C25H25N7O/c1-32-29-17-22(31-32)21-11-12-23(28-16-21)30-25(33)24(20-5-3-2-4-6-20)27-14-13-18-7-9-19(15-26)10-8-18/h3,5-12,16-17,24,27H,2,4,13-14H2,1H3,(H,28,30,33)
InChIKeyTWYZOOFBRVIDBZ-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.16
Rot. Bonds8

About 2-[2-(4-cyanophenyl)ethylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(2-methyltriazol-4-yl)-2-pyridinyl]acetamide

2-[2-(4-cyanophenyl)ethylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(2-methyltriazol-4-yl)-2-pyridinyl]acetamide (PubChem CID 155597372) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is 2-[2-(4-cyanophenyl)ethylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(2-methyltriazol-4-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-cyanophenyl)ethylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(2-methyltriazol-4-yl)-2-pyridinyl]acetamide
PubChem CID155597372
Molecular FormulaC25H25N7O
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC Name2-[2-(4-cyanophenyl)ethylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(2-methyltriazol-4-yl)-2-pyridinyl]acetamide
SMILESCn1ncc(-c2ccc(NC(=O)C(NCCc3ccc(C#N)cc3)C3=CCCC=C3)nc2)n1
InChIInChI=1S/C25H25N7O/c1-32-29-17-22(31-32)21-11-12-23(28-16-21)30-25(33)24(20-5-3-2-4-6-20)27-14-13-18-7-9-19(15-26)10-8-18/h3,5-12,16-17,24,27H,2,4,13-14H2,1H3,(H,28,30,33)
InChIKeyTWYZOOFBRVIDBZ-UHFFFAOYSA-N
XLogP3.16
TPSA108.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(4-cyanophenyl)propylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(2-methyltriazol-4-yl)-2-pyridinyl]acetamide
CID 155597348
2-[2-(4-cyano-2,6-difluorophenyl)ethylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
CID 155597515
2-[2-(4-cyanophenyl)ethylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(4-formylpiperidin-1-yl)-2-pyridinyl]acetamide;N-ethyl-N-methylethanamine
CID 155597598
2-[2-(4-cyanophenyl)propylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(1-methyl-6-oxopyridazin-3-yl)-2-pyridinyl]acetamide
CID 155597597
2-(4-cyanophenyl)-2-[2-(4-cyanophenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
CID 139426165
2-[2-(4-cyanophenyl)propylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]acetamide
CID 155597281
2-[2-(4-cyanophenyl)ethylamino]-2-(6-methoxycyclohexa-1,5-dien-1-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
CID 155597623
2-[2-(4-cyanophenyl)ethylamino]-2-(4-methylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
CID 155597287
(2S)-2-(4-cyanophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
CID 160974493
2-[2-(4-cyanophenyl)ethylamino]-2-(3-hexylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
CID 139426164
2-[2-(4-cyanophenyl)ethylamino]-N-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylacetamide
CID 139426182
2-[4-[6-[[2-[2-(4-cyanophenyl)ethylamino]-2-phenylacetyl]amino]-3-pyridinyl]phenyl]-2,2-difluoroacetic acid
CID 178082086

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-cyanophenyl)ethylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(2-methyltriazol-4-yl)-2-pyridinyl]acetamide?
The IUPAC name of 2-[2-(4-cyanophenyl)ethylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(2-methyltriazol-4-yl)-2-pyridinyl]acetamide (CID 155597372) is 2-[2-(4-cyanophenyl)ethylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(2-methyltriazol-4-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-[2-(4-cyanophenyl)ethylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(2-methyltriazol-4-yl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-[2-(4-cyanophenyl)ethylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(2-methyltriazol-4-yl)-2-pyridinyl]acetamide is Cn1ncc(-c2ccc(NC(=O)C(NCCc3ccc(C#N)cc3)C3=CCCC=C3)nc2)n1.
What is the InChIKey of 2-[2-(4-cyanophenyl)ethylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(2-methyltriazol-4-yl)-2-pyridinyl]acetamide?
The InChIKey is TWYZOOFBRVIDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O/c1-32-29-17-22(31-32)21-11-12-23(28-16-21)30-25(33)24(20-5-3-2-4-6-20)27-14-13-18-7-9-19(15-26)10-8-18/h3,5-12,16-17,24,27H,2,4,13-14H2,1H3,(H,28,30,33).
What are the key properties of 2-[2-(4-cyanophenyl)ethylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(2-methyltriazol-4-yl)-2-pyridinyl]acetamide?
2-[2-(4-cyanophenyl)ethylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(2-methyltriazol-4-yl)-2-pyridinyl]acetamide has a molecular weight of 439.52 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-cyanophenyl)ethylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(2-methyltriazol-4-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 155597372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).