2,6-dimethyl-4-(pentan-2-ylamino)pyridine-3-carbonitrile

Name: 2,6-dimethyl-4-(pentan-2-ylamino)pyridine-3-carbonitrile — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₉N₃ — CID 81061203

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2,6-dimethyl-4-(pentan-2-ylamino)pyridine-3-carbonitrile

SMILESCCCC(C)Nc1cc(C)nc(C)c1C#N

InChIInChI=1S/C13H19N3/c1-5-6-9(2)16-13-7-10(3)15-11(4)12(13)8-14/h7,9H,5-6H2,1-4H3,(H,15,16)

InChIKeyFLXNPXXRMGCFTB-UHFFFAOYSA-N

MW217.32 g/mol

LogP3.17

Rot. Bonds4

About 2,6-dimethyl-4-(pentan-2-ylamino)pyridine-3-carbonitrile

2,6-dimethyl-4-(pentan-2-ylamino)pyridine-3-carbonitrile (PubChem CID 81061203) has the molecular formula C₁₃H₁₉N₃ and a molecular weight of 217.32 g/mol. Its IUPAC name is 2,6-dimethyl-4-(pentan-2-ylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name	2,6-dimethyl-4-(pentan-2-ylamino)pyridine-3-carbonitrile
PubChem CID	81061203
Molecular Formula	C₁₃H₁₉N₃
Molecular Weight	217.32 g/mol
Exact Mass	217.16
IUPAC Name	2,6-dimethyl-4-(pentan-2-ylamino)pyridine-3-carbonitrile
SMILES	CCCC(C)Nc1cc(C)nc(C)c1C#N
InChI	InChI=1S/C13H19N3/c1-5-6-9(2)16-13-7-10(3)15-11(4)12(13)8-14/h7,9H,5-6H2,1-4H3,(H,15,16)
InChIKey	FLXNPXXRMGCFTB-UHFFFAOYSA-N
XLogP	3.17
TPSA	48.71 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	217.32
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(pentan-2-ylamino)pyridine-3-carbonitrile?

The IUPAC name of 2,6-dimethyl-4-(pentan-2-ylamino)pyridine-3-carbonitrile (CID 81061203) is 2,6-dimethyl-4-(pentan-2-ylamino)pyridine-3-carbonitrile.

What is the SMILES notation for 2,6-dimethyl-4-(pentan-2-ylamino)pyridine-3-carbonitrile?

The canonical SMILES for 2,6-dimethyl-4-(pentan-2-ylamino)pyridine-3-carbonitrile is CCCC(C)Nc1cc(C)nc(C)c1C#N.

What is the InChIKey of 2,6-dimethyl-4-(pentan-2-ylamino)pyridine-3-carbonitrile?

The InChIKey is FLXNPXXRMGCFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-5-6-9(2)16-13-7-10(3)15-11(4)12(13)8-14/h7,9H,5-6H2,1-4H3,(H,15,16).

What are the key properties of 2,6-dimethyl-4-(pentan-2-ylamino)pyridine-3-carbonitrile?

2,6-dimethyl-4-(pentan-2-ylamino)pyridine-3-carbonitrile has a molecular weight of 217.32 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dimethyl-4-(pentan-2-ylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 81061203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 81061203 — identifiers, structure, computed properties (public domain)

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