4-[(4-methylphenyl)methyl]-1-(2-pyridin-3-ylpyridine-3-carbonyl)piperidine-4-carbonitrile

C25H24N4O — CID 167602066

IUPAC4-[(4-methylphenyl)methyl]-1-(2-pyridin-3-ylpyridine-3-carbonyl)piperidine-4-carbonitrile
SMILESCc1ccc(CC2(C#N)CCN(C(=O)c3cccnc3-c3cccnc3)CC2)cc1
InChIInChI=1S/C25H24N4O/c1-19-6-8-20(9-7-19)16-25(18-26)10-14-29(15-11-25)24(30)22-5-3-13-28-23(22)21-4-2-12-27-17-21/h2-9,12-13,17H,10-11,14-16H2,1H3
InChIKeyNBEILNUCLQYASR-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.44
Rot. Bonds4

About 4-[(4-methylphenyl)methyl]-1-(2-pyridin-3-ylpyridine-3-carbonyl)piperidine-4-carbonitrile

4-[(4-methylphenyl)methyl]-1-(2-pyridin-3-ylpyridine-3-carbonyl)piperidine-4-carbonitrile (PubChem CID 167602066) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-[(4-methylphenyl)methyl]-1-(2-pyridin-3-ylpyridine-3-carbonyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-[(4-methylphenyl)methyl]-1-(2-pyridin-3-ylpyridine-3-carbonyl)piperidine-4-carbonitrile
PubChem CID167602066
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name4-[(4-methylphenyl)methyl]-1-(2-pyridin-3-ylpyridine-3-carbonyl)piperidine-4-carbonitrile
SMILESCc1ccc(CC2(C#N)CCN(C(=O)c3cccnc3-c3cccnc3)CC2)cc1
InChIInChI=1S/C25H24N4O/c1-19-6-8-20(9-7-19)16-25(18-26)10-14-29(15-11-25)24(30)22-5-3-13-28-23(22)21-4-2-12-27-17-21/h2-9,12-13,17H,10-11,14-16H2,1H3
InChIKeyNBEILNUCLQYASR-UHFFFAOYSA-N
XLogP4.44
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,6-difluoro-4-methylphenyl)methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile
CID 167560608
1-(2-pyrimidin-4-ylpyridine-3-carbonyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carbonitrile
CID 155344042
1-(2-pyrimidin-4-ylpyridine-3-carbonyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carbonitrile
CID 155343852
(3R)-3-[(4-fluorophenyl)methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)pyrrolidine-3-carbonitrile
CID 155344140
4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile
CID 155343860
4-(cyclopropylmethyl)-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile
CID 155344075
1-[2-[(1Z)-1-(ethylideneamino)buta-1,3-dienyl]pyridine-3-carbonyl]-4-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]piperidine-4-carbonitrile
CID 155731257
1-(bromomethyl)-4-(trifluoromethoxy)benzene;methane;piperidine-4-carbonitrile;1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;1-(2-pyridin-4-ylpyridine-3-carbonyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carbonitrile;2-pyridin-4-ylpyridine-3-carboxylic acid
CID 167704696
4-[(1S)-1-(2,6-difluorophenyl)ethyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile
CID 155343890
[4-amino-4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone
CID 123415741
(4-methylphenyl)-(4-pyridin-3-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)methanone
CID 97462065
lithium;ethyl 2-chloropyridine-3-carboxylate;ethyl 2-pyridazin-4-ylpyridine-3-carboxylate;4-[(4-fluorophenyl)methyl]-4-isocyanopiperidine;4-[(4-fluorophenyl)methyl]-1-(2-pyridazin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;methane;pyridazine;2-pyridazin-4-ylpyridine-3-carboxylic acid;tributyl(pyridazin-4-yl)stannane;hydroxide;hydrochloride
CID 167711148

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)methyl]-1-(2-pyridin-3-ylpyridine-3-carbonyl)piperidine-4-carbonitrile?
The IUPAC name of 4-[(4-methylphenyl)methyl]-1-(2-pyridin-3-ylpyridine-3-carbonyl)piperidine-4-carbonitrile (CID 167602066) is 4-[(4-methylphenyl)methyl]-1-(2-pyridin-3-ylpyridine-3-carbonyl)piperidine-4-carbonitrile.
What is the SMILES notation for 4-[(4-methylphenyl)methyl]-1-(2-pyridin-3-ylpyridine-3-carbonyl)piperidine-4-carbonitrile?
The canonical SMILES for 4-[(4-methylphenyl)methyl]-1-(2-pyridin-3-ylpyridine-3-carbonyl)piperidine-4-carbonitrile is Cc1ccc(CC2(C#N)CCN(C(=O)c3cccnc3-c3cccnc3)CC2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)methyl]-1-(2-pyridin-3-ylpyridine-3-carbonyl)piperidine-4-carbonitrile?
The InChIKey is NBEILNUCLQYASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-19-6-8-20(9-7-19)16-25(18-26)10-14-29(15-11-25)24(30)22-5-3-13-28-23(22)21-4-2-12-27-17-21/h2-9,12-13,17H,10-11,14-16H2,1H3.
What are the key properties of 4-[(4-methylphenyl)methyl]-1-(2-pyridin-3-ylpyridine-3-carbonyl)piperidine-4-carbonitrile?
4-[(4-methylphenyl)methyl]-1-(2-pyridin-3-ylpyridine-3-carbonyl)piperidine-4-carbonitrile has a molecular weight of 396.49 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)methyl]-1-(2-pyridin-3-ylpyridine-3-carbonyl)piperidine-4-carbonitrile is sourced from PubChem (CID 167602066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).