5-[[6-[1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]pyridine-2-carbonitrile

C24H26N6 — CID 132778232

IUPAC5-[[6-[1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]pyridine-2-carbonitrile
SMILESCN(C)c1ccc(CN2CCCC2c2cccc(Nc3ccc(C#N)nc3)n2)cc1
InChIInChI=1S/C24H26N6/c1-29(2)21-12-8-18(9-13-21)17-30-14-4-6-23(30)22-5-3-7-24(28-22)27-20-11-10-19(15-25)26-16-20/h3,5,7-13,16,23H,4,6,14,17H2,1-2H3,(H,27,28)
InChIKeyYYZYACGSCLFBDW-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.49
Rot. Bonds6

About 5-[[6-[1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]pyridine-2-carbonitrile

5-[[6-[1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]pyridine-2-carbonitrile (PubChem CID 132778232) has the molecular formula C24H26N6 and a molecular weight of 398.51 g/mol. Its IUPAC name is 5-[[6-[1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[6-[1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]pyridine-2-carbonitrile
PubChem CID132778232
Molecular FormulaC24H26N6
Molecular Weight398.51 g/mol
Exact Mass398.22
IUPAC Name5-[[6-[1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]pyridine-2-carbonitrile
SMILESCN(C)c1ccc(CN2CCCC2c2cccc(Nc3ccc(C#N)nc3)n2)cc1
InChIInChI=1S/C24H26N6/c1-29(2)21-12-8-18(9-13-21)17-30-14-4-6-23(30)22-5-3-7-24(28-22)27-20-11-10-19(15-25)26-16-20/h3,5,7-13,16,23H,4,6,14,17H2,1-2H3,(H,27,28)
InChIKeyYYZYACGSCLFBDW-UHFFFAOYSA-N
XLogP4.49
TPSA68.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

5-[[6-[1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]pyridine-2-carbonitrile
CID 132766139
5-[[6-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile
CID 132766777
2-[[6-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
CID 132778397
5-[[5-[1-(1H-indol-5-ylmethyl)piperidin-2-yl]pyrazin-2-yl]amino]pyridine-2-carbonitrile
CID 132771847
5-[[4-[1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]amino]pyridine-2-carbonitrile
CID 132771561
5-[[6-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile
CID 132766506
5-[[6-[1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile
CID 132767161
2-[4-[[(2S)-2-[6-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenyl]benzoic acid
CID 124980083
6-[1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-N-pyridin-2-ylpyridin-2-amine
CID 110265127
4-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine
CID 110267126
5-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile
CID 133358839
2-[[6-[1-[(2-butyl-1H-imidazol-5-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
CID 132778416

Frequently Asked Questions

What is the IUPAC name of 5-[[6-[1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[[6-[1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]pyridine-2-carbonitrile (CID 132778232) is 5-[[6-[1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[6-[1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[6-[1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]pyridine-2-carbonitrile is CN(C)c1ccc(CN2CCCC2c2cccc(Nc3ccc(C#N)nc3)n2)cc1.
What is the InChIKey of 5-[[6-[1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]pyridine-2-carbonitrile?
The InChIKey is YYZYACGSCLFBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6/c1-29(2)21-12-8-18(9-13-21)17-30-14-4-6-23(30)22-5-3-7-24(28-22)27-20-11-10-19(15-25)26-16-20/h3,5,7-13,16,23H,4,6,14,17H2,1-2H3,(H,27,28).
What are the key properties of 5-[[6-[1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]pyridine-2-carbonitrile?
5-[[6-[1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]pyridine-2-carbonitrile has a molecular weight of 398.51 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 132778232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).