4-[[6-(dimethylamino)-3-pyridinyl]amino]-2,6-dimethylpyridine-3-carbonitrile

C15H17N5 — CID 133396607

IUPAC4-[[6-(dimethylamino)-3-pyridinyl]amino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(Nc2ccc(N(C)C)nc2)c(C#N)c(C)n1
InChIInChI=1S/C15H17N5/c1-10-7-14(13(8-16)11(2)18-10)19-12-5-6-15(17-9-12)20(3)4/h5-7,9H,1-4H3,(H,18,19)
InChIKeyNBLTWDHZVPCIAX-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.77
Rot. Bonds3

About 4-[[6-(dimethylamino)-3-pyridinyl]amino]-2,6-dimethylpyridine-3-carbonitrile

4-[[6-(dimethylamino)-3-pyridinyl]amino]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 133396607) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 4-[[6-(dimethylamino)-3-pyridinyl]amino]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[[6-(dimethylamino)-3-pyridinyl]amino]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID133396607
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name4-[[6-(dimethylamino)-3-pyridinyl]amino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(Nc2ccc(N(C)C)nc2)c(C#N)c(C)n1
InChIInChI=1S/C15H17N5/c1-10-7-14(13(8-16)11(2)18-10)19-12-5-6-15(17-9-12)20(3)4/h5-7,9H,1-4H3,(H,18,19)
InChIKeyNBLTWDHZVPCIAX-UHFFFAOYSA-N
XLogP2.77
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chloro-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060361
4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060534
N-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-methylpropanamide
CID 133396343
4-(3,5-dichloro-4-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 107574631
4-(2-cyano-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 107805419
2,6-dimethyl-4-[4-(2-methylsulfonylethyl)anilino]pyridine-3-carbonitrile
CID 133398006
2,6-dimethyl-4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]pyridine-3-carbonitrile
CID 133396516
2,6-dimethyl-4-(2,4,5-trichloroanilino)pyridine-3-carbonitrile
CID 81060425
4-(2-ethylanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060340
4-(3-bromo-2-methylanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 107635030
4-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 133406706
4-(cyclobutylamino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060746

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(dimethylamino)-3-pyridinyl]amino]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[[6-(dimethylamino)-3-pyridinyl]amino]-2,6-dimethylpyridine-3-carbonitrile (CID 133396607) is 4-[[6-(dimethylamino)-3-pyridinyl]amino]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[[6-(dimethylamino)-3-pyridinyl]amino]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[[6-(dimethylamino)-3-pyridinyl]amino]-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(Nc2ccc(N(C)C)nc2)c(C#N)c(C)n1.
What is the InChIKey of 4-[[6-(dimethylamino)-3-pyridinyl]amino]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is NBLTWDHZVPCIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-10-7-14(13(8-16)11(2)18-10)19-12-5-6-15(17-9-12)20(3)4/h5-7,9H,1-4H3,(H,18,19).
What are the key properties of 4-[[6-(dimethylamino)-3-pyridinyl]amino]-2,6-dimethylpyridine-3-carbonitrile?
4-[[6-(dimethylamino)-3-pyridinyl]amino]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 267.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(dimethylamino)-3-pyridinyl]amino]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 133396607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).