2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carbonitrile

C13H19N3 — CID 114765840

IUPAC2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carbonitrile
SMILESCCCN(c1cc(C#N)cc(C)n1)C(C)C
InChIInChI=1S/C13H19N3/c1-5-6-16(10(2)3)13-8-12(9-14)7-11(4)15-13/h7-8,10H,5-6H2,1-4H3
InChIKeyBITQBGZIAAXFLB-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.89
Rot. Bonds4

About 2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carbonitrile

2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carbonitrile (PubChem CID 114765840) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carbonitrile
PubChem CID114765840
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carbonitrile
SMILESCCCN(c1cc(C#N)cc(C)n1)C(C)C
InChIInChI=1S/C13H19N3/c1-5-6-16(10(2)3)13-8-12(9-14)7-11(4)15-13/h7-8,10H,5-6H2,1-4H3
InChIKeyBITQBGZIAAXFLB-UHFFFAOYSA-N
XLogP2.89
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-[methyl(propan-2-yl)amino]pyridine-4-carbonitrile
CID 114765737
ethyl 2-[(4-cyano-6-methyl-2-pyridinyl)-propan-2-ylamino]acetate
CID 114766094
2-[bis(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile
CID 114765935
2-methyl-6-[methyl(pentan-3-yl)amino]pyridine-4-carbonitrile
CID 114765889
2-[2-(dimethylamino)ethyl-methylamino]-6-methylpyridine-4-carbonitrile
CID 114766295
2-[(3-amino-4-methylpentyl)-methylamino]-6-methylpyridine-4-carbonitrile
CID 114770229
2-N-ethyl-6-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine
CID 80775316
2-methyl-6-[methyl(2-methylbutan-2-yl)amino]pyridine-4-carbonitrile
CID 114766314
6-N,2-dimethyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80774664
2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carboximidamide
CID 114768874
2-chloro-6-[2-methylpropyl(propan-2-yl)amino]pyridine-4-carbonitrile
CID 83073442
ethane;2-ethyl-6-methylpyridine-4-carbonitrile
CID 142101388

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carbonitrile (CID 114765840) is 2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carbonitrile is CCCN(c1cc(C#N)cc(C)n1)C(C)C.
What is the InChIKey of 2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carbonitrile?
The InChIKey is BITQBGZIAAXFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-5-6-16(10(2)3)13-8-12(9-14)7-11(4)15-13/h7-8,10H,5-6H2,1-4H3.
What are the key properties of 2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carbonitrile?
2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carbonitrile has a molecular weight of 217.32 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 114765840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).