4-[[2-(4-hydroxypiperidin-1-yl)anilino]methyl]-1,5-dimethylpyrrole-2-carbonitrile

C19H24N4O — CID 86804897

IUPAC4-[[2-(4-hydroxypiperidin-1-yl)anilino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
SMILESCc1c(CNc2ccccc2N2CCC(O)CC2)cc(C#N)n1C
InChIInChI=1S/C19H24N4O/c1-14-15(11-16(12-20)22(14)2)13-21-18-5-3-4-6-19(18)23-9-7-17(24)8-10-23/h3-6,11,17,21,24H,7-10,13H2,1-2H3
InChIKeySSRQUCRECNHKAX-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.78
Rot. Bonds4

About 4-[[2-(4-hydroxypiperidin-1-yl)anilino]methyl]-1,5-dimethylpyrrole-2-carbonitrile

4-[[2-(4-hydroxypiperidin-1-yl)anilino]methyl]-1,5-dimethylpyrrole-2-carbonitrile (PubChem CID 86804897) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-[[2-(4-hydroxypiperidin-1-yl)anilino]methyl]-1,5-dimethylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-[[2-(4-hydroxypiperidin-1-yl)anilino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
PubChem CID86804897
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name4-[[2-(4-hydroxypiperidin-1-yl)anilino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
SMILESCc1c(CNc2ccccc2N2CCC(O)CC2)cc(C#N)n1C
InChIInChI=1S/C19H24N4O/c1-14-15(11-16(12-20)22(14)2)13-21-18-5-3-4-6-19(18)23-9-7-17(24)8-10-23/h3-6,11,17,21,24H,7-10,13H2,1-2H3
InChIKeySSRQUCRECNHKAX-UHFFFAOYSA-N
XLogP2.78
TPSA64.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[2-(4-hydroxypiperidin-1-yl)anilino]methyl]-1,5-dimethylpyrrole-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 97031950
1-[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]phenyl]piperidin-4-ol
CID 111778083
4-[[(2-bromo-3-pyridinyl)amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 114051573
4-[(cyclopropylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115581351
1-[2-[(2-chloroquinolin-3-yl)methylamino]phenyl]piperidin-4-ol
CID 52704853
1-[2-[(2,6-difluorophenyl)methylamino]phenyl]piperidin-4-ol
CID 110018792
1-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]piperidin-4-ol
CID 99824551
1-[2-(2-methylprop-2-enylamino)phenyl]piperidin-4-ol
CID 75416206
4-[(cyclopentylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115581124
4-[[(2-hydroxycyclohexyl)methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115644918
1,5-dimethyl-4-[[(6-methyl-3-pyridinyl)amino]methyl]pyrrole-2-carbonitrile
CID 115742362
1-[2-[(2-ethylpyrazol-3-yl)methylamino]phenyl]piperidin-4-ol
CID 91650833

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-hydroxypiperidin-1-yl)anilino]methyl]-1,5-dimethylpyrrole-2-carbonitrile?
The IUPAC name of 4-[[2-(4-hydroxypiperidin-1-yl)anilino]methyl]-1,5-dimethylpyrrole-2-carbonitrile (CID 86804897) is 4-[[2-(4-hydroxypiperidin-1-yl)anilino]methyl]-1,5-dimethylpyrrole-2-carbonitrile.
What is the SMILES notation for 4-[[2-(4-hydroxypiperidin-1-yl)anilino]methyl]-1,5-dimethylpyrrole-2-carbonitrile?
The canonical SMILES for 4-[[2-(4-hydroxypiperidin-1-yl)anilino]methyl]-1,5-dimethylpyrrole-2-carbonitrile is Cc1c(CNc2ccccc2N2CCC(O)CC2)cc(C#N)n1C.
What is the InChIKey of 4-[[2-(4-hydroxypiperidin-1-yl)anilino]methyl]-1,5-dimethylpyrrole-2-carbonitrile?
The InChIKey is SSRQUCRECNHKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-15(11-16(12-20)22(14)2)13-21-18-5-3-4-6-19(18)23-9-7-17(24)8-10-23/h3-6,11,17,21,24H,7-10,13H2,1-2H3.
What are the key properties of 4-[[2-(4-hydroxypiperidin-1-yl)anilino]methyl]-1,5-dimethylpyrrole-2-carbonitrile?
4-[[2-(4-hydroxypiperidin-1-yl)anilino]methyl]-1,5-dimethylpyrrole-2-carbonitrile has a molecular weight of 324.43 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-hydroxypiperidin-1-yl)anilino]methyl]-1,5-dimethylpyrrole-2-carbonitrile is sourced from PubChem (CID 86804897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).