2-[(5-cyano-2-pyridinyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-2-phenylacetamide

C23H22N4O3 — CID 68964936

IUPAC2-[(5-cyano-2-pyridinyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-2-phenylacetamide
SMILESCOc1ccc(CNC(=O)C(Nc2ccc(C#N)cn2)c2ccccc2)cc1OC
InChIInChI=1S/C23H22N4O3/c1-29-19-10-8-16(12-20(19)30-2)14-26-23(28)22(18-6-4-3-5-7-18)27-21-11-9-17(13-24)15-25-21/h3-12,15,22H,14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyGQIFVEDGVFZBJH-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.44
Rot. Bonds8

About 2-[(5-cyano-2-pyridinyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-2-phenylacetamide

2-[(5-cyano-2-pyridinyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-2-phenylacetamide (PubChem CID 68964936) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-[(5-cyano-2-pyridinyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-[(5-cyano-2-pyridinyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-2-phenylacetamide
PubChem CID68964936
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name2-[(5-cyano-2-pyridinyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-2-phenylacetamide
SMILESCOc1ccc(CNC(=O)C(Nc2ccc(C#N)cn2)c2ccccc2)cc1OC
InChIInChI=1S/C23H22N4O3/c1-29-19-10-8-16(12-20(19)30-2)14-26-23(28)22(18-6-4-3-5-7-18)27-21-11-9-17(13-24)15-25-21/h3-12,15,22H,14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyGQIFVEDGVFZBJH-UHFFFAOYSA-N
XLogP3.44
TPSA96.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-cyano-2-pyridinyl)amino]-N-(cyclohexylmethyl)-2-phenylacetamide
CID 68965090
N-benzyl-2-(4-cyanoanilino)-2-(3-methoxy-4-prop-2-enoxyphenyl)acetamide
CID 23283338
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylpropanamide
CID 110355750
N-benzyl-2-(4-cyanoanilino)-2-[3-methoxy-4-(quinolin-7-ylmethoxy)phenyl]acetamide
CID 23283528
(2S)-N-benzyl-2-(4-cyanoanilino)-2-[3-methoxy-4-(quinolin-7-ylmethoxy)phenyl]acetamide
CID 70004084
1-[(3,4-dimethoxyphenyl)methyl]-3-(2,2-dimethyl-1-phenylpropyl)urea
CID 55769817
2-(benzhydrylamino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 46631034
6-(2-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 109159955
(2R)-N-benzyl-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 7681327
N-benzyl-2-(4-cyanoanilino)-2-[3-methoxy-4-[(3-phenoxyphenyl)methoxy]phenyl]acetamide
CID 23283646
(2S)-N-benzyl-2-(4-cyanoanilino)-2-(4,5-dimethoxy-2-phenylmethoxyphenyl)acetamide
CID 70003619
5-(4-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109193758

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-2-pyridinyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-2-phenylacetamide?
The IUPAC name of 2-[(5-cyano-2-pyridinyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-2-phenylacetamide (CID 68964936) is 2-[(5-cyano-2-pyridinyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-2-phenylacetamide.
What is the SMILES notation for 2-[(5-cyano-2-pyridinyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-2-phenylacetamide?
The canonical SMILES for 2-[(5-cyano-2-pyridinyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-2-phenylacetamide is COc1ccc(CNC(=O)C(Nc2ccc(C#N)cn2)c2ccccc2)cc1OC.
What is the InChIKey of 2-[(5-cyano-2-pyridinyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-2-phenylacetamide?
The InChIKey is GQIFVEDGVFZBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-29-19-10-8-16(12-20(19)30-2)14-26-23(28)22(18-6-4-3-5-7-18)27-21-11-9-17(13-24)15-25-21/h3-12,15,22H,14H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 2-[(5-cyano-2-pyridinyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-2-phenylacetamide?
2-[(5-cyano-2-pyridinyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-2-phenylacetamide has a molecular weight of 402.45 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-2-pyridinyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-2-phenylacetamide is sourced from PubChem (CID 68964936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).