2-[2-(4-cyanophenyl)propylamino]-N-[5-(3-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide

C27H26N6O — CID 139426448

IUPAC2-[2-(4-cyanophenyl)propylamino]-N-[5-(3-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide
SMILESCc1ccn(-c2ccc(NC(=O)C(NCC(C)c3ccc(C#N)cc3)c3ccccc3)nc2)n1
InChIInChI=1S/C27H26N6O/c1-19(22-10-8-21(16-28)9-11-22)17-30-26(23-6-4-3-5-7-23)27(34)31-25-13-12-24(18-29-25)33-15-14-20(2)32-33/h3-15,18-19,26,30H,17H2,1-2H3,(H,29,31,34)
InChIKeyAIDIJBYRBIZGEV-UHFFFAOYSA-N
MW450.55 g/mol
LogP4.52
Rot. Bonds8

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

2-[2-(4-cyanophenyl)propylamino]-N-[5-(3-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide (PubChem CID 139426448) has the molecular formula C27H26N6O and a molecular weight of 450.55 g/mol. Its IUPAC name is 2-[2-(4-cyanophenyl)propylamino]-N-[5-(3-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-[2-(4-cyanophenyl)propylamino]-N-[5-(3-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide
PubChem CID139426448
Molecular FormulaC27H26N6O
Molecular Weight450.55 g/mol
Exact Mass450.22
IUPAC Name2-[2-(4-cyanophenyl)propylamino]-N-[5-(3-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide
SMILESCc1ccn(-c2ccc(NC(=O)C(NCC(C)c3ccc(C#N)cc3)c3ccccc3)nc2)n1
InChIInChI=1S/C27H26N6O/c1-19(22-10-8-21(16-28)9-11-22)17-30-26(23-6-4-3-5-7-23)27(34)31-25-13-12-24(18-29-25)33-15-14-20(2)32-33/h3-15,18-19,26,30H,17H2,1-2H3,(H,29,31,34)
InChIKeyAIDIJBYRBIZGEV-UHFFFAOYSA-N
XLogP4.52
TPSA95.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.55
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(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-(2,4-dimethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide
CID 164515098
(2S)-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide
CID 139425922
(2S)-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-(2,4-dimethyl-5-oxopiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide
CID 164515094
N-[5-(azetidin-3-yloxy)-2-pyridinyl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide
CID 164756425
(2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-(1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]-2-phenylacetamide
CID 164515086
(2S)-2-[2-(4-cyanophenyl)propylamino]-N-[5-[1-(cyclopropanecarbonyl)azetidin-3-yl]oxy-2-pyridinyl]-2-phenylacetamide
CID 175623239
(2S)-2-(4-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(4-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(3-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(4-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-(4-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-(4-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide
CID 161116039
(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide
CID 167706593
(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(2-methyltriazol-4-yl)-2-pyridinyl]-2-phenylacetamide
CID 157190903
(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
CID 157190906
3-[2-(4-cyanophenyl)ethylamino]-N-[5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-phenylpropanamide
CID 139426043

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-cyanophenyl)propylamino]-N-[5-(3-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide?
The IUPAC name of 2-[2-(4-cyanophenyl)propylamino]-N-[5-(3-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide (CID 139426448) is 2-[2-(4-cyanophenyl)propylamino]-N-[5-(3-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for 2-[2-(4-cyanophenyl)propylamino]-N-[5-(3-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide?
The canonical SMILES for 2-[2-(4-cyanophenyl)propylamino]-N-[5-(3-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide is Cc1ccn(-c2ccc(NC(=O)C(NCC(C)c3ccc(C#N)cc3)c3ccccc3)nc2)n1.
What is the InChIKey of 2-[2-(4-cyanophenyl)propylamino]-N-[5-(3-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide?
The InChIKey is AIDIJBYRBIZGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O/c1-19(22-10-8-21(16-28)9-11-22)17-30-26(23-6-4-3-5-7-23)27(34)31-25-13-12-24(18-29-25)33-15-14-20(2)32-33/h3-15,18-19,26,30H,17H2,1-2H3,(H,29,31,34).
What are the key properties of 2-[2-(4-cyanophenyl)propylamino]-N-[5-(3-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide?
2-[2-(4-cyanophenyl)propylamino]-N-[5-(3-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide has a molecular weight of 450.55 g/mol, XLogP of 4.52, 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]-N-[5-(3-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 139426448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).