2-[methyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile

C18H21N5 — CID 51101991

IUPAC2-[methyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile
SMILESCN(c1ncccc1C#N)C1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C18H21N5/c1-22(18-16(13-19)3-2-8-21-18)17-6-11-23(12-7-17)14-15-4-9-20-10-5-15/h2-5,8-10,17H,6-7,11-12,14H2,1H3
InChIKeyBOJAAZHXFWYAPE-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.45
Rot. Bonds4

About 2-[methyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile

2-[methyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile (PubChem CID 51101991) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[methyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[methyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile
PubChem CID51101991
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name2-[methyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile
SMILESCN(c1ncccc1C#N)C1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C18H21N5/c1-22(18-16(13-19)3-2-8-21-18)17-6-11-23(12-7-17)14-15-4-9-20-10-5-15/h2-5,8-10,17H,6-7,11-12,14H2,1H3
InChIKeyBOJAAZHXFWYAPE-UHFFFAOYSA-N
XLogP2.45
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[methyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile (CID 51101991) is 2-[methyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[methyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[methyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile is CN(c1ncccc1C#N)C1CCN(Cc2ccncc2)CC1.
What is the InChIKey of 2-[methyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile?
The InChIKey is BOJAAZHXFWYAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-22(18-16(13-19)3-2-8-21-18)17-6-11-23(12-7-17)14-15-4-9-20-10-5-15/h2-5,8-10,17H,6-7,11-12,14H2,1H3.
What are the key properties of 2-[methyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile?
2-[methyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile has a molecular weight of 307.40 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 51101991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).