N-[4-[2-amino-3-cyano-6-(2-methoxyphenyl)-4-pyridinyl]phenyl]acetamide

C21H18N4O2 — CID 5153682

IUPACN-[4-[2-amino-3-cyano-6-(2-methoxyphenyl)-4-pyridinyl]phenyl]acetamide
SMILESCOc1ccccc1-c1cc(-c2ccc(NC(C)=O)cc2)c(C#N)c(N)n1
InChIInChI=1S/C21H18N4O2/c1-13(26)24-15-9-7-14(8-10-15)17-11-19(25-21(23)18(17)12-22)16-5-3-4-6-20(16)27-2/h3-11H,1-2H3,(H2,23,25)(H,24,26)
InChIKeyCZKSBMKFQVSNRV-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.84
Rot. Bonds4

About N-[4-[2-amino-3-cyano-6-(2-methoxyphenyl)-4-pyridinyl]phenyl]acetamide

N-[4-[2-amino-3-cyano-6-(2-methoxyphenyl)-4-pyridinyl]phenyl]acetamide (PubChem CID 5153682) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[4-[2-amino-3-cyano-6-(2-methoxyphenyl)-4-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-amino-3-cyano-6-(2-methoxyphenyl)-4-pyridinyl]phenyl]acetamide
PubChem CID5153682
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-[4-[2-amino-3-cyano-6-(2-methoxyphenyl)-4-pyridinyl]phenyl]acetamide
SMILESCOc1ccccc1-c1cc(-c2ccc(NC(C)=O)cc2)c(C#N)c(N)n1
InChIInChI=1S/C21H18N4O2/c1-13(26)24-15-9-7-14(8-10-15)17-11-19(25-21(23)18(17)12-22)16-5-3-4-6-20(16)27-2/h3-11H,1-2H3,(H2,23,25)(H,24,26)
InChIKeyCZKSBMKFQVSNRV-UHFFFAOYSA-N
XLogP3.84
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-amino-3-cyano-6-phenyl-4-pyridinyl)phenyl]acetamide
CID 3351971
N-[4-(6-amino-5-cyano-4-phenyl-2-pyridinyl)phenyl]acetamide
CID 856313
N-[4-(5-cyano-6-methoxy-4-phenyl-2-pyridinyl)phenyl]acetamide
CID 70924863
2-amino-6-(4-hydroxyphenyl)-4-(2-methoxyphenyl)pyridine-3-carbonitrile
CID 856314
2-amino-4-(2-chlorophenyl)-6-(2-methoxyphenyl)pyridine-3-carbonitrile
CID 4636440
2-amino-4-(2-methoxyphenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5231002
2-amino-4-(furan-2-yl)-6-(2-methoxyphenyl)pyridine-3-carbonitrile
CID 5153770
N-[4-(4-amino-5-cyano-6-methoxy-2-pyridinyl)phenyl]acetamide
CID 70924991
2-amino-4-(4-cyanophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
CID 3554219
methyl 4-[2-amino-3-cyano-6-(2-nitrophenyl)-4-pyridinyl]benzoate
CID 5229288
2-amino-6-(3,4-dimethoxyphenyl)-4-(4-hydroxyphenyl)pyridine-3-carbonitrile
CID 136691533
2-amino-4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile
CID 135496405

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-amino-3-cyano-6-(2-methoxyphenyl)-4-pyridinyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-amino-3-cyano-6-(2-methoxyphenyl)-4-pyridinyl]phenyl]acetamide (CID 5153682) is N-[4-[2-amino-3-cyano-6-(2-methoxyphenyl)-4-pyridinyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-amino-3-cyano-6-(2-methoxyphenyl)-4-pyridinyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-amino-3-cyano-6-(2-methoxyphenyl)-4-pyridinyl]phenyl]acetamide is COc1ccccc1-c1cc(-c2ccc(NC(C)=O)cc2)c(C#N)c(N)n1.
What is the InChIKey of N-[4-[2-amino-3-cyano-6-(2-methoxyphenyl)-4-pyridinyl]phenyl]acetamide?
The InChIKey is CZKSBMKFQVSNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-13(26)24-15-9-7-14(8-10-15)17-11-19(25-21(23)18(17)12-22)16-5-3-4-6-20(16)27-2/h3-11H,1-2H3,(H2,23,25)(H,24,26).
What are the key properties of N-[4-[2-amino-3-cyano-6-(2-methoxyphenyl)-4-pyridinyl]phenyl]acetamide?
N-[4-[2-amino-3-cyano-6-(2-methoxyphenyl)-4-pyridinyl]phenyl]acetamide has a molecular weight of 358.40 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-amino-3-cyano-6-(2-methoxyphenyl)-4-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 5153682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).