4-(dimethylamino)-2-(4-methoxyanilino)pyridine-3-carbonitrile

C15H16N4O — CID 1470943

IUPAC4-(dimethylamino)-2-(4-methoxyanilino)pyridine-3-carbonitrile
SMILESCOc1ccc(Nc2nccc(N(C)C)c2C#N)cc1
InChIInChI=1S/C15H16N4O/c1-19(2)14-8-9-17-15(13(14)10-16)18-11-4-6-12(20-3)7-5-11/h4-9H,1-3H3,(H,17,18)
InChIKeyUMTMPBVITSBDSD-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.77
Rot. Bonds4

About 4-(dimethylamino)-2-(4-methoxyanilino)pyridine-3-carbonitrile

4-(dimethylamino)-2-(4-methoxyanilino)pyridine-3-carbonitrile (PubChem CID 1470943) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-(dimethylamino)-2-(4-methoxyanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(dimethylamino)-2-(4-methoxyanilino)pyridine-3-carbonitrile
PubChem CID1470943
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name4-(dimethylamino)-2-(4-methoxyanilino)pyridine-3-carbonitrile
SMILESCOc1ccc(Nc2nccc(N(C)C)c2C#N)cc1
InChIInChI=1S/C15H16N4O/c1-19(2)14-8-9-17-15(13(14)10-16)18-11-4-6-12(20-3)7-5-11/h4-9H,1-3H3,(H,17,18)
InChIKeyUMTMPBVITSBDSD-UHFFFAOYSA-N
XLogP2.77
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-(4-methoxyanilino)pyridine-3-carbonitrile?
The IUPAC name of 4-(dimethylamino)-2-(4-methoxyanilino)pyridine-3-carbonitrile (CID 1470943) is 4-(dimethylamino)-2-(4-methoxyanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 4-(dimethylamino)-2-(4-methoxyanilino)pyridine-3-carbonitrile?
The canonical SMILES for 4-(dimethylamino)-2-(4-methoxyanilino)pyridine-3-carbonitrile is COc1ccc(Nc2nccc(N(C)C)c2C#N)cc1.
What is the InChIKey of 4-(dimethylamino)-2-(4-methoxyanilino)pyridine-3-carbonitrile?
The InChIKey is UMTMPBVITSBDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-19(2)14-8-9-17-15(13(14)10-16)18-11-4-6-12(20-3)7-5-11/h4-9H,1-3H3,(H,17,18).
What are the key properties of 4-(dimethylamino)-2-(4-methoxyanilino)pyridine-3-carbonitrile?
4-(dimethylamino)-2-(4-methoxyanilino)pyridine-3-carbonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-(4-methoxyanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 1470943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).