5-(4-cyanophenyl)-2-(3-methylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]pentanamide

C28H27N5O — CID 158240916

IUPAC5-(4-cyanophenyl)-2-(3-methylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]pentanamide
SMILESCc1cccc(C(CCCc2ccc(C#N)cc2)C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c1
InChIInChI=1S/C28H27N5O/c1-20-5-3-7-23(15-20)26(8-4-6-21-9-11-22(16-29)12-10-21)28(34)32-27-14-13-24(17-30-27)25-18-31-33(2)19-25/h3,5,7,9-15,17-19,26H,4,6,8H2,1-2H3,(H,30,32,34)
InChIKeyGFNKIMUDGXKXSK-UHFFFAOYSA-N
MW449.56 g/mol
LogP5.41
Rot. Bonds8

About 5-(4-cyanophenyl)-2-(3-methylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]pentanamide

5-(4-cyanophenyl)-2-(3-methylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]pentanamide (PubChem CID 158240916) has the molecular formula C28H27N5O and a molecular weight of 449.56 g/mol. Its IUPAC name is 5-(4-cyanophenyl)-2-(3-methylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]pentanamide.

Molecular Properties

Compound Name5-(4-cyanophenyl)-2-(3-methylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]pentanamide
PubChem CID158240916
Molecular FormulaC28H27N5O
Molecular Weight449.56 g/mol
Exact Mass449.22
IUPAC Name5-(4-cyanophenyl)-2-(3-methylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]pentanamide
SMILESCc1cccc(C(CCCc2ccc(C#N)cc2)C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c1
InChIInChI=1S/C28H27N5O/c1-20-5-3-7-23(15-20)26(8-4-6-21-9-11-22(16-29)12-10-21)28(34)32-27-14-13-24(17-30-27)25-18-31-33(2)19-25/h3,5,7,9-15,17-19,26H,4,6,8H2,1-2H3,(H,30,32,34)
InChIKeyGFNKIMUDGXKXSK-UHFFFAOYSA-N
XLogP5.41
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.56
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(4-cyanophenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylpropanamide
CID 139426172
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-(4-cyanophenyl)-2-[2-(4-cyanophenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
CID 139426165
3-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylpropanamide
CID 175625191
3-[[(2R)-2-(4-cyanophenyl)-3,3,3-trifluoropropyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylpropanamide
CID 139426148
3-[2-(4-cyanopyrazol-1-yl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylpropanamide
CID 139426075
2-[2-(4-cyanophenyl)ethylamino]-2-(6-methoxycyclohexa-1,5-dien-1-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
CID 155597623
N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(6-methyl-3-pyridinyl)ethylamino]-2-phenylacetamide
CID 139425941
2-[2-(4-cyanophenyl)ethylamino]-N-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylacetamide
CID 139426182
(2S)-2-[2-(3-fluoro-4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
CID 159385072

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyanophenyl)-2-(3-methylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]pentanamide?
The IUPAC name of 5-(4-cyanophenyl)-2-(3-methylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]pentanamide (CID 158240916) is 5-(4-cyanophenyl)-2-(3-methylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]pentanamide.
What is the SMILES notation for 5-(4-cyanophenyl)-2-(3-methylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]pentanamide?
The canonical SMILES for 5-(4-cyanophenyl)-2-(3-methylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]pentanamide is Cc1cccc(C(CCCc2ccc(C#N)cc2)C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c1.
What is the InChIKey of 5-(4-cyanophenyl)-2-(3-methylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]pentanamide?
The InChIKey is GFNKIMUDGXKXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O/c1-20-5-3-7-23(15-20)26(8-4-6-21-9-11-22(16-29)12-10-21)28(34)32-27-14-13-24(17-30-27)25-18-31-33(2)19-25/h3,5,7,9-15,17-19,26H,4,6,8H2,1-2H3,(H,30,32,34).
What are the key properties of 5-(4-cyanophenyl)-2-(3-methylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]pentanamide?
5-(4-cyanophenyl)-2-(3-methylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]pentanamide has a molecular weight of 449.56 g/mol, XLogP of 5.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyanophenyl)-2-(3-methylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]pentanamide is sourced from PubChem (CID 158240916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).