5-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile

C19H22N4 — CID 133358839

IUPAC5-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCc2ccc(CN3CCCCC3)cc2)cn1
InChIInChI=1S/C19H22N4/c20-12-18-8-9-19(14-22-18)21-13-16-4-6-17(7-5-16)15-23-10-2-1-3-11-23/h4-9,14,21H,1-3,10-11,13,15H2
InChIKeyVTVHIPNIJIOUAN-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.55
Rot. Bonds5

About 5-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile

5-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile (PubChem CID 133358839) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 5-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile
PubChem CID133358839
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name5-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCc2ccc(CN3CCCCC3)cc2)cn1
InChIInChI=1S/C19H22N4/c20-12-18-8-9-19(14-22-18)21-13-16-4-6-17(7-5-16)15-23-10-2-1-3-11-23/h4-9,14,21H,1-3,10-11,13,15H2
InChIKeyVTVHIPNIJIOUAN-UHFFFAOYSA-N
XLogP3.55
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridine-2-carbonitrile
CID 133335271
5-[2-(4-benzylpiperazin-1-yl)ethylamino]pyridine-2-carbonitrile
CID 133372771
5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]pyridine-2-carbonitrile
CID 133358833
5-[(6-methyl-3-pyridinyl)methylamino]pyridine-2-carbonitrile
CID 79839878
5-[(4-morpholin-4-ylsulfonylphenyl)methylamino]pyridine-2-carbonitrile
CID 133358400
5-[(4-ethylsulfonylphenyl)methylamino]pyridine-2-carbonitrile
CID 100675654
N-[(1-methylpyrazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline
CID 43231929
[4-(piperidin-1-ylmethyl)phenyl]methylhydrazine
CID 53275153
5-(thiophen-3-ylmethylamino)pyridine-2-carbonitrile
CID 79840154
5-(1H-pyrazol-4-ylmethylamino)pyridine-2-carbonitrile
CID 115490190
5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile
CID 122142016
5-[[4-(pyrrolidin-1-ylmethyl)anilino]methyl]thiophene-3-carbonitrile
CID 79610908

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile?
The IUPAC name of 5-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile (CID 133358839) is 5-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile is N#Cc1ccc(NCc2ccc(CN3CCCCC3)cc2)cn1.
What is the InChIKey of 5-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile?
The InChIKey is VTVHIPNIJIOUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c20-12-18-8-9-19(14-22-18)21-13-16-4-6-17(7-5-16)15-23-10-2-1-3-11-23/h4-9,14,21H,1-3,10-11,13,15H2.
What are the key properties of 5-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile?
5-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile has a molecular weight of 306.41 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 133358839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).