N-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-methylpropanamide

C18H20N4O — CID 133396343

IUPACN-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-methylpropanamide
SMILESCc1cc(Nc2ccc(NC(=O)C(C)C)cc2)c(C#N)c(C)n1
InChIInChI=1S/C18H20N4O/c1-11(2)18(23)22-15-7-5-14(6-8-15)21-17-9-12(3)20-13(4)16(17)10-19/h5-9,11H,1-4H3,(H,20,21)(H,22,23)
InChIKeyBIHDDPVVLLVOGC-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.91
Rot. Bonds4

About N-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-methylpropanamide

N-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-methylpropanamide (PubChem CID 133396343) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is N-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-methylpropanamide
PubChem CID133396343
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC NameN-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-methylpropanamide
SMILESCc1cc(Nc2ccc(NC(=O)C(C)C)cc2)c(C#N)c(C)n1
InChIInChI=1S/C18H20N4O/c1-11(2)18(23)22-15-7-5-14(6-8-15)21-17-9-12(3)20-13(4)16(17)10-19/h5-9,11H,1-4H3,(H,20,21)(H,22,23)
InChIKeyBIHDDPVVLLVOGC-UHFFFAOYSA-N
XLogP3.91
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethylanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060340
2,6-dimethyl-4-[4-(2-methylsulfonylethyl)anilino]pyridine-3-carbonitrile
CID 133398006
4-(4-chloro-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060361
4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060534
4-[[6-(dimethylamino)-3-pyridinyl]amino]-2,6-dimethylpyridine-3-carbonitrile
CID 133396607
4-(2-cyano-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 107805419
N-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)sulfanyl]phenyl]acetamide
CID 81042138
2,6-dimethyl-4-(2,4,5-trichloroanilino)pyridine-3-carbonitrile
CID 81060425
4-(3,5-dichloro-4-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 107574631
N-[4-[(6-cyanopyridazin-3-yl)amino]phenyl]-2-methylpropanamide
CID 133415991
4-(3-bromo-2-methylanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 107635030
N-[3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-(2-methoxyphenoxy)acetamide
CID 133396942

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-methylpropanamide (CID 133396343) is N-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-methylpropanamide is Cc1cc(Nc2ccc(NC(=O)C(C)C)cc2)c(C#N)c(C)n1.
What is the InChIKey of N-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-methylpropanamide?
The InChIKey is BIHDDPVVLLVOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-11(2)18(23)22-15-7-5-14(6-8-15)21-17-9-12(3)20-13(4)16(17)10-19/h5-9,11H,1-4H3,(H,20,21)(H,22,23).
What are the key properties of N-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-methylpropanamide?
N-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-methylpropanamide has a molecular weight of 308.39 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 133396343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).