2-[2-(4-cyanophenyl)propylamino]-2-cyclohexa-2,4-dien-1-yl-N-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]acetamide

C28H30N6O — CID 175631580

IUPAC2-[2-(4-cyanophenyl)propylamino]-2-cyclohexa-2,4-dien-1-yl-N-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]acetamide
SMILESCc1n[nH]c(C)c1-c1ccc(NC(=O)C(NCC(C)c2ccc(C#N)cc2)C2C=CC=CC2)nc1
InChIInChI=1S/C28H30N6O/c1-18(22-11-9-21(15-29)10-12-22)16-31-27(23-7-5-4-6-8-23)28(35)32-25-14-13-24(17-30-25)26-19(2)33-34-20(26)3/h4-7,9-14,17-18,23,27,31H,8,16H2,1-3H3,(H,33,34)(H,30,32,35)
InChIKeyGYZIWWPSUQHSLF-UHFFFAOYSA-N
MW466.59 g/mol
LogP4.79
Rot. Bonds8

About 2-[2-(4-cyanophenyl)propylamino]-2-cyclohexa-2,4-dien-1-yl-N-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]acetamide

2-[2-(4-cyanophenyl)propylamino]-2-cyclohexa-2,4-dien-1-yl-N-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]acetamide (PubChem CID 175631580) has the molecular formula C28H30N6O and a molecular weight of 466.59 g/mol. Its IUPAC name is 2-[2-(4-cyanophenyl)propylamino]-2-cyclohexa-2,4-dien-1-yl-N-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-cyanophenyl)propylamino]-2-cyclohexa-2,4-dien-1-yl-N-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]acetamide
PubChem CID175631580
Molecular FormulaC28H30N6O
Molecular Weight466.59 g/mol
Exact Mass466.25
IUPAC Name2-[2-(4-cyanophenyl)propylamino]-2-cyclohexa-2,4-dien-1-yl-N-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]acetamide
SMILESCc1n[nH]c(C)c1-c1ccc(NC(=O)C(NCC(C)c2ccc(C#N)cc2)C2C=CC=CC2)nc1
InChIInChI=1S/C28H30N6O/c1-18(22-11-9-21(15-29)10-12-22)16-31-27(23-7-5-4-6-8-23)28(35)32-25-14-13-24(17-30-25)26-19(2)33-34-20(26)3/h4-7,9-14,17-18,23,27,31H,8,16H2,1-3H3,(H,33,34)(H,30,32,35)
InChIKeyGYZIWWPSUQHSLF-UHFFFAOYSA-N
XLogP4.79
TPSA106.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-cyanophenyl)propylamino]-2-cyclohexa-2,4-dien-1-yl-N-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]acetamide?
The IUPAC name of 2-[2-(4-cyanophenyl)propylamino]-2-cyclohexa-2,4-dien-1-yl-N-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]acetamide (CID 175631580) is 2-[2-(4-cyanophenyl)propylamino]-2-cyclohexa-2,4-dien-1-yl-N-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-[2-(4-cyanophenyl)propylamino]-2-cyclohexa-2,4-dien-1-yl-N-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-[2-(4-cyanophenyl)propylamino]-2-cyclohexa-2,4-dien-1-yl-N-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]acetamide is Cc1n[nH]c(C)c1-c1ccc(NC(=O)C(NCC(C)c2ccc(C#N)cc2)C2C=CC=CC2)nc1.
What is the InChIKey of 2-[2-(4-cyanophenyl)propylamino]-2-cyclohexa-2,4-dien-1-yl-N-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]acetamide?
The InChIKey is GYZIWWPSUQHSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O/c1-18(22-11-9-21(15-29)10-12-22)16-31-27(23-7-5-4-6-8-23)28(35)32-25-14-13-24(17-30-25)26-19(2)33-34-20(26)3/h4-7,9-14,17-18,23,27,31H,8,16H2,1-3H3,(H,33,34)(H,30,32,35).
What are the key properties of 2-[2-(4-cyanophenyl)propylamino]-2-cyclohexa-2,4-dien-1-yl-N-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]acetamide?
2-[2-(4-cyanophenyl)propylamino]-2-cyclohexa-2,4-dien-1-yl-N-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]acetamide has a molecular weight of 466.59 g/mol, XLogP of 4.79, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-cyanophenyl)propylamino]-2-cyclohexa-2,4-dien-1-yl-N-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 175631580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).