2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbonitrile

C15H22N4 — CID 114766146

IUPAC2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(NCC2CCN(C(C)C)C2)n1
InChIInChI=1S/C15H22N4/c1-11(2)19-5-4-13(10-19)9-17-15-7-14(8-16)6-12(3)18-15/h6-7,11,13H,4-5,9-10H2,1-3H3,(H,17,18)
InChIKeyJNNAFNRQOUQHOK-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.40
Rot. Bonds4

About 2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbonitrile

2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbonitrile (PubChem CID 114766146) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbonitrile
PubChem CID114766146
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(NCC2CCN(C(C)C)C2)n1
InChIInChI=1S/C15H22N4/c1-11(2)19-5-4-13(10-19)9-17-15-7-14(8-16)6-12(3)18-15/h6-7,11,13H,4-5,9-10H2,1-3H3,(H,17,18)
InChIKeyJNNAFNRQOUQHOK-UHFFFAOYSA-N
XLogP2.40
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 62482811
2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbothioamide
CID 114767545
3-fluoro-5-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]benzonitrile
CID 102816061
2-propan-2-yl-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine
CID 80957220
2-cyclopropyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136974576
6-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 80908827
3-[1-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]ethyl]benzonitrile
CID 61207369
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 61209300
2-methyl-6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-4-carbonitrile
CID 114766247
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 61253592
N-[(1-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine
CID 54939293
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 115601208

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbonitrile (CID 114766146) is 2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbonitrile is Cc1cc(C#N)cc(NCC2CCN(C(C)C)C2)n1.
What is the InChIKey of 2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbonitrile?
The InChIKey is JNNAFNRQOUQHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-11(2)19-5-4-13(10-19)9-17-15-7-14(8-16)6-12(3)18-15/h6-7,11,13H,4-5,9-10H2,1-3H3,(H,17,18).
What are the key properties of 2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbonitrile?
2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbonitrile has a molecular weight of 258.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 114766146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).