N-(6-chloro-3-cyano-2-pyridinyl)-N-(4-methoxyphenyl)acetamide

C15H12ClN3O2 — CID 71616693

IUPACN-(6-chloro-3-cyano-2-pyridinyl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(N(C(C)=O)c2nc(Cl)ccc2C#N)cc1
InChIInChI=1S/C15H12ClN3O2/c1-10(20)19(12-4-6-13(21-2)7-5-12)15-11(9-17)3-8-14(16)18-15/h3-8H,1-2H3
InChIKeyABTYEIODCUZVFM-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.30
Rot. Bonds3

About N-(6-chloro-3-cyano-2-pyridinyl)-N-(4-methoxyphenyl)acetamide

N-(6-chloro-3-cyano-2-pyridinyl)-N-(4-methoxyphenyl)acetamide (PubChem CID 71616693) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is N-(6-chloro-3-cyano-2-pyridinyl)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(6-chloro-3-cyano-2-pyridinyl)-N-(4-methoxyphenyl)acetamide
PubChem CID71616693
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC NameN-(6-chloro-3-cyano-2-pyridinyl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(N(C(C)=O)c2nc(Cl)ccc2C#N)cc1
InChIInChI=1S/C15H12ClN3O2/c1-10(20)19(12-4-6-13(21-2)7-5-12)15-11(9-17)3-8-14(16)18-15/h3-8H,1-2H3
InChIKeyABTYEIODCUZVFM-UHFFFAOYSA-N
XLogP3.30
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide
CID 740893
4-chloro-2-(4-methoxy-N-methylanilino)benzonitrile
CID 63093755
N,N-bis(4-methoxyphenyl)-2-oxopropanamide;ethane
CID 143471525
3-methoxy-N-(4-methoxyphenyl)-N-phenylbenzamide
CID 23582269
5-methoxy-2-(2-oxopropoxy)benzonitrile
CID 2917169
N,N-bis(4-methoxyphenyl)naphthalene-2-carboxamide
CID 129035097
2-chloro-4-[2-(4-methoxyphenyl)-2-oxoethoxy]benzonitrile
CID 102674505
N-(2,6-dichlorophenyl)-N-(4-methoxyphenyl)benzamide
CID 154952087
2,3-difluoro-4-(4-methoxy-N-methylanilino)benzonitrile
CID 107933687
(4-methoxy-N-(4-methoxyphenyl)anilino) acetate
CID 175095203
amino-(4-methoxyphenyl)carbamic acid
CID 66864834
2-acetyl-3-chloro-4-methoxybenzonitrile
CID 171003277

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-cyano-2-pyridinyl)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(6-chloro-3-cyano-2-pyridinyl)-N-(4-methoxyphenyl)acetamide (CID 71616693) is N-(6-chloro-3-cyano-2-pyridinyl)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(6-chloro-3-cyano-2-pyridinyl)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(6-chloro-3-cyano-2-pyridinyl)-N-(4-methoxyphenyl)acetamide is COc1ccc(N(C(C)=O)c2nc(Cl)ccc2C#N)cc1.
What is the InChIKey of N-(6-chloro-3-cyano-2-pyridinyl)-N-(4-methoxyphenyl)acetamide?
The InChIKey is ABTYEIODCUZVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-10(20)19(12-4-6-13(21-2)7-5-12)15-11(9-17)3-8-14(16)18-15/h3-8H,1-2H3.
What are the key properties of N-(6-chloro-3-cyano-2-pyridinyl)-N-(4-methoxyphenyl)acetamide?
N-(6-chloro-3-cyano-2-pyridinyl)-N-(4-methoxyphenyl)acetamide has a molecular weight of 301.73 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-cyano-2-pyridinyl)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 71616693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).