4-methyl-2-[(1-propylcyclopropyl)methylamino]pyridine-3-carbonitrile

C14H19N3 — CID 113412330

IUPAC4-methyl-2-[(1-propylcyclopropyl)methylamino]pyridine-3-carbonitrile
SMILESCCCC1(CNc2nccc(C)c2C#N)CC1
InChIInChI=1S/C14H19N3/c1-3-5-14(6-7-14)10-17-13-12(9-15)11(2)4-8-16-13/h4,8H,3,5-7,10H2,1-2H3,(H,16,17)
InChIKeyQLDVTDKVSCYXGE-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.25
Rot. Bonds5

About 4-methyl-2-[(1-propylcyclopropyl)methylamino]pyridine-3-carbonitrile

4-methyl-2-[(1-propylcyclopropyl)methylamino]pyridine-3-carbonitrile (PubChem CID 113412330) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-methyl-2-[(1-propylcyclopropyl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-[(1-propylcyclopropyl)methylamino]pyridine-3-carbonitrile
PubChem CID113412330
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-methyl-2-[(1-propylcyclopropyl)methylamino]pyridine-3-carbonitrile
SMILESCCCC1(CNc2nccc(C)c2C#N)CC1
InChIInChI=1S/C14H19N3/c1-3-5-14(6-7-14)10-17-13-12(9-15)11(2)4-8-16-13/h4,8H,3,5-7,10H2,1-2H3,(H,16,17)
InChIKeyQLDVTDKVSCYXGE-UHFFFAOYSA-N
XLogP3.25
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1-propylcyclopropyl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 4-methyl-2-[(1-propylcyclopropyl)methylamino]pyridine-3-carbonitrile (CID 113412330) is 4-methyl-2-[(1-propylcyclopropyl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 4-methyl-2-[(1-propylcyclopropyl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 4-methyl-2-[(1-propylcyclopropyl)methylamino]pyridine-3-carbonitrile is CCCC1(CNc2nccc(C)c2C#N)CC1.
What is the InChIKey of 4-methyl-2-[(1-propylcyclopropyl)methylamino]pyridine-3-carbonitrile?
The InChIKey is QLDVTDKVSCYXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-5-14(6-7-14)10-17-13-12(9-15)11(2)4-8-16-13/h4,8H,3,5-7,10H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-2-[(1-propylcyclopropyl)methylamino]pyridine-3-carbonitrile?
4-methyl-2-[(1-propylcyclopropyl)methylamino]pyridine-3-carbonitrile has a molecular weight of 229.33 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1-propylcyclopropyl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 113412330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).