(2S)-2-[2-(4-cyanophenyl)ethylamino]-2-phenyl-N-(5-pyrazolidin-4-yl-2-pyridinyl)acetamide

C25H26N6O — CID 164515055

IUPAC(2S)-2-[2-(4-cyanophenyl)ethylamino]-2-phenyl-N-(5-pyrazolidin-4-yl-2-pyridinyl)acetamide
SMILESN#Cc1ccc(CCN[C@H](C(=O)Nc2ccc(C3CNNC3)cn2)c2ccccc2)cc1
InChIInChI=1S/C25H26N6O/c26-14-19-8-6-18(7-9-19)12-13-27-24(20-4-2-1-3-5-20)25(32)31-23-11-10-21(15-28-23)22-16-29-30-17-22/h1-11,15,22,24,27,29-30H,12-13,16-17H2,(H,28,31,32)/t24-/m0/s1
InChIKeyRQVNDZGXKXPWRK-DEOSSOPVSA-N
MW426.52 g/mol
LogP2.66
Rot. Bonds8

About (2S)-2-[2-(4-cyanophenyl)ethylamino]-2-phenyl-N-(5-pyrazolidin-4-yl-2-pyridinyl)acetamide

(2S)-2-[2-(4-cyanophenyl)ethylamino]-2-phenyl-N-(5-pyrazolidin-4-yl-2-pyridinyl)acetamide (PubChem CID 164515055) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is (2S)-2-[2-(4-cyanophenyl)ethylamino]-2-phenyl-N-(5-pyrazolidin-4-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name(2S)-2-[2-(4-cyanophenyl)ethylamino]-2-phenyl-N-(5-pyrazolidin-4-yl-2-pyridinyl)acetamide
PubChem CID164515055
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC Name(2S)-2-[2-(4-cyanophenyl)ethylamino]-2-phenyl-N-(5-pyrazolidin-4-yl-2-pyridinyl)acetamide
SMILESN#Cc1ccc(CCN[C@H](C(=O)Nc2ccc(C3CNNC3)cn2)c2ccccc2)cc1
InChIInChI=1S/C25H26N6O/c26-14-19-8-6-18(7-9-19)12-13-27-24(20-4-2-1-3-5-20)25(32)31-23-11-10-21(15-28-23)22-16-29-30-17-22/h1-11,15,22,24,27,29-30H,12-13,16-17H2,(H,28,31,32)/t24-/m0/s1
InChIKeyRQVNDZGXKXPWRK-DEOSSOPVSA-N
XLogP2.66
TPSA101.87 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 52.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(1-acetylpiperidin-4-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-phenylacetamide
CID 154694146
2-[4-[6-[[2-[2-(4-cyanophenyl)ethylamino]-2-phenylacetyl]amino]-3-pyridinyl]phenyl]-2,2-difluoroacetic acid
CID 178082086
2-[2-(4-cyanophenyl)ethylamino]-N-[5-(3-ethyl-2-oxoimidazolidin-1-yl)-2-pyridinyl]-2-phenylacetamide
CID 139426462
N-[5-(1-acetylpiperidin-3-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-phenylacetamide
CID 175622897
(2S)-2-[2-(4-cyanophenyl)ethylamino]-N-[5-(4-methoxy-4-methylpiperidin-1-yl)-2-pyridinyl]-2-phenylacetamide
CID 139426010
2-[2-(4-cyanophenyl)ethylamino]-N-[5-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridinyl]-2-phenylacetamide
CID 155597525
2-(4-cyanophenyl)-2-[2-(4-cyanophenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
CID 139426165
2-[2-(4-cyanophenyl)ethylamino]-N-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylacetamide
CID 139426182
N-[5-(azetidin-3-yloxy)-2-pyridinyl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide
CID 164756425
2-[2-(4-cyanophenyl)ethylamino]-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
CID 155597426
(2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-(1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]-2-phenylacetamide
CID 164515086
2-[2-(4-cyanophenyl)ethylamino]-2-(4-methylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
CID 155597287

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(4-cyanophenyl)ethylamino]-2-phenyl-N-(5-pyrazolidin-4-yl-2-pyridinyl)acetamide?
The IUPAC name of (2S)-2-[2-(4-cyanophenyl)ethylamino]-2-phenyl-N-(5-pyrazolidin-4-yl-2-pyridinyl)acetamide (CID 164515055) is (2S)-2-[2-(4-cyanophenyl)ethylamino]-2-phenyl-N-(5-pyrazolidin-4-yl-2-pyridinyl)acetamide.
What is the SMILES notation for (2S)-2-[2-(4-cyanophenyl)ethylamino]-2-phenyl-N-(5-pyrazolidin-4-yl-2-pyridinyl)acetamide?
The canonical SMILES for (2S)-2-[2-(4-cyanophenyl)ethylamino]-2-phenyl-N-(5-pyrazolidin-4-yl-2-pyridinyl)acetamide is N#Cc1ccc(CCN[C@H](C(=O)Nc2ccc(C3CNNC3)cn2)c2ccccc2)cc1.
What is the InChIKey of (2S)-2-[2-(4-cyanophenyl)ethylamino]-2-phenyl-N-(5-pyrazolidin-4-yl-2-pyridinyl)acetamide?
The InChIKey is RQVNDZGXKXPWRK-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H26N6O/c26-14-19-8-6-18(7-9-19)12-13-27-24(20-4-2-1-3-5-20)25(32)31-23-11-10-21(15-28-23)22-16-29-30-17-22/h1-11,15,22,24,27,29-30H,12-13,16-17H2,(H,28,31,32)/t24-/m0/s1.
What are the key properties of (2S)-2-[2-(4-cyanophenyl)ethylamino]-2-phenyl-N-(5-pyrazolidin-4-yl-2-pyridinyl)acetamide?
(2S)-2-[2-(4-cyanophenyl)ethylamino]-2-phenyl-N-(5-pyrazolidin-4-yl-2-pyridinyl)acetamide has a molecular weight of 426.52 g/mol, XLogP of 2.66, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(4-cyanophenyl)ethylamino]-2-phenyl-N-(5-pyrazolidin-4-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 164515055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).