N-(4-aminophenyl)-3-(6-chloro-5-cyano-2,4-dimethyl-3-pyridinyl)propanamide

C17H17ClN4O — CID 84613443

IUPACN-(4-aminophenyl)-3-(6-chloro-5-cyano-2,4-dimethyl-3-pyridinyl)propanamide
SMILESCc1nc(Cl)c(C#N)c(C)c1CCC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C17H17ClN4O/c1-10-14(11(2)21-17(18)15(10)9-19)7-8-16(23)22-13-5-3-12(20)4-6-13/h3-6H,7-8,20H2,1-2H3,(H,22,23)
InChIKeyNEHTWDGBVMCNNA-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.38
Rot. Bonds4

About N-(4-aminophenyl)-3-(6-chloro-5-cyano-2,4-dimethyl-3-pyridinyl)propanamide

N-(4-aminophenyl)-3-(6-chloro-5-cyano-2,4-dimethyl-3-pyridinyl)propanamide (PubChem CID 84613443) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is N-(4-aminophenyl)-3-(6-chloro-5-cyano-2,4-dimethyl-3-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3-(6-chloro-5-cyano-2,4-dimethyl-3-pyridinyl)propanamide
PubChem CID84613443
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC NameN-(4-aminophenyl)-3-(6-chloro-5-cyano-2,4-dimethyl-3-pyridinyl)propanamide
SMILESCc1nc(Cl)c(C#N)c(C)c1CCC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C17H17ClN4O/c1-10-14(11(2)21-17(18)15(10)9-19)7-8-16(23)22-13-5-3-12(20)4-6-13/h3-6H,7-8,20H2,1-2H3,(H,22,23)
InChIKeyNEHTWDGBVMCNNA-UHFFFAOYSA-N
XLogP3.38
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23604260
N-(4-chlorophenyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23602910
N-methyl-4-[3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]benzamide
CID 24617794
N-[4-(ethylsulfonylamino)phenyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 55960855
3-(4-aminophenyl)-N-[4-(cyanomethyl)phenyl]propanamide
CID 62302853
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-phenylpropanamide
CID 38017763
N-[4-(cyanomethyl)phenyl]-3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide
CID 46341445
N-[4-[3-(4-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795313
N-(4-methylphenyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 20863583
N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
CID 52692952
N-(4-chlorophenyl)-2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanylacetamide
CID 33227919
3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-methylphenyl)propanamide
CID 23603974

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3-(6-chloro-5-cyano-2,4-dimethyl-3-pyridinyl)propanamide?
The IUPAC name of N-(4-aminophenyl)-3-(6-chloro-5-cyano-2,4-dimethyl-3-pyridinyl)propanamide (CID 84613443) is N-(4-aminophenyl)-3-(6-chloro-5-cyano-2,4-dimethyl-3-pyridinyl)propanamide.
What is the SMILES notation for N-(4-aminophenyl)-3-(6-chloro-5-cyano-2,4-dimethyl-3-pyridinyl)propanamide?
The canonical SMILES for N-(4-aminophenyl)-3-(6-chloro-5-cyano-2,4-dimethyl-3-pyridinyl)propanamide is Cc1nc(Cl)c(C#N)c(C)c1CCC(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-3-(6-chloro-5-cyano-2,4-dimethyl-3-pyridinyl)propanamide?
The InChIKey is NEHTWDGBVMCNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-10-14(11(2)21-17(18)15(10)9-19)7-8-16(23)22-13-5-3-12(20)4-6-13/h3-6H,7-8,20H2,1-2H3,(H,22,23).
What are the key properties of N-(4-aminophenyl)-3-(6-chloro-5-cyano-2,4-dimethyl-3-pyridinyl)propanamide?
N-(4-aminophenyl)-3-(6-chloro-5-cyano-2,4-dimethyl-3-pyridinyl)propanamide has a molecular weight of 328.80 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3-(6-chloro-5-cyano-2,4-dimethyl-3-pyridinyl)propanamide is sourced from PubChem (CID 84613443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).