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

C28H30N6O — CID 155597281

IUPAC2-[2-(4-cyanophenyl)propylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]acetamide
SMILESCc1c(-c2ccc(NC(=O)C(NCC(C)c3ccc(C#N)cc3)C3=CCCC=C3)nc2)cnn1C
InChIInChI=1S/C28H30N6O/c1-19(22-11-9-21(15-29)10-12-22)16-31-27(23-7-5-4-6-8-23)28(35)33-26-14-13-24(17-30-26)25-18-32-34(3)20(25)2/h5,7-14,17-19,27,31H,4,6,16H2,1-3H3,(H,30,33,35)
InChIKeyBLABAJAQYBXKDU-UHFFFAOYSA-N
MW466.59 g/mol
LogP4.64
Rot. Bonds8

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

2-[2-(4-cyanophenyl)propylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]acetamide (PubChem CID 155597281) 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-1,5-dien-1-yl-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-cyanophenyl)propylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]acetamide
PubChem CID155597281
Molecular FormulaC28H30N6O
Molecular Weight466.59 g/mol
Exact Mass466.25
IUPAC Name2-[2-(4-cyanophenyl)propylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]acetamide
SMILESCc1c(-c2ccc(NC(=O)C(NCC(C)c3ccc(C#N)cc3)C3=CCCC=C3)nc2)cnn1C
InChIInChI=1S/C28H30N6O/c1-19(22-11-9-21(15-29)10-12-22)16-31-27(23-7-5-4-6-8-23)28(35)33-26-14-13-24(17-30-26)25-18-32-34(3)20(25)2/h5,7-14,17-19,27,31H,4,6,16H2,1-3H3,(H,30,33,35)
InChIKeyBLABAJAQYBXKDU-UHFFFAOYSA-N
XLogP4.64
TPSA95.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-cyanophenyl)propylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(1-methyl-6-oxopyridazin-3-yl)-2-pyridinyl]acetamide
CID 155597597
2-[2-(4-cyanophenyl)ethylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(2-methyltriazol-4-yl)-2-pyridinyl]acetamide
CID 155597372
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
(2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-(6-methylpyridazin-3-yl)-2-pyridinyl]-2-phenylacetamide
CID 164515065
(2S)-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-[[2-(methylamino)-2-oxoethyl]amino]-2-pyridinyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 155597423
(2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-(1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]-2-phenylacetamide
CID 164515086
2-(4-cyanophenyl)-2-[2-(4-cyanophenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
CID 139426165
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-cyclohexa-1,5-dien-1-yl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]acetamide;4-[1-(methylamino)propan-2-yl]benzonitrile
CID 155597639
(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
CID 157190906

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-cyanophenyl)propylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]acetamide?
The IUPAC name of 2-[2-(4-cyanophenyl)propylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]acetamide (CID 155597281) is 2-[2-(4-cyanophenyl)propylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-[2-(4-cyanophenyl)propylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-[2-(4-cyanophenyl)propylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]acetamide is Cc1c(-c2ccc(NC(=O)C(NCC(C)c3ccc(C#N)cc3)C3=CCCC=C3)nc2)cnn1C.
What is the InChIKey of 2-[2-(4-cyanophenyl)propylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]acetamide?
The InChIKey is BLABAJAQYBXKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O/c1-19(22-11-9-21(15-29)10-12-22)16-31-27(23-7-5-4-6-8-23)28(35)33-26-14-13-24(17-30-26)25-18-32-34(3)20(25)2/h5,7-14,17-19,27,31H,4,6,16H2,1-3H3,(H,30,33,35).
What are the key properties of 2-[2-(4-cyanophenyl)propylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]acetamide?
2-[2-(4-cyanophenyl)propylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]acetamide has a molecular weight of 466.59 g/mol, XLogP of 4.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-cyanophenyl)propylamino]-2-cyclohexa-1,5-dien-1-yl-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 155597281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).