4-[[cyclopropyl(propyl)amino]methyl]pyridine-2-carbonitrile

C13H17N3 — CID 63883631

IUPAC4-[[cyclopropyl(propyl)amino]methyl]pyridine-2-carbonitrile
SMILESCCCN(Cc1ccnc(C#N)c1)C1CC1
InChIInChI=1S/C13H17N3/c1-2-7-16(13-3-4-13)10-11-5-6-15-12(8-11)9-14/h5-6,8,13H,2-4,7,10H2,1H3
InChIKeyKHXZZMUHZIZYPC-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.33
Rot. Bonds5

About 4-[[cyclopropyl(propyl)amino]methyl]pyridine-2-carbonitrile

4-[[cyclopropyl(propyl)amino]methyl]pyridine-2-carbonitrile (PubChem CID 63883631) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-[[cyclopropyl(propyl)amino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[cyclopropyl(propyl)amino]methyl]pyridine-2-carbonitrile
PubChem CID63883631
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name4-[[cyclopropyl(propyl)amino]methyl]pyridine-2-carbonitrile
SMILESCCCN(Cc1ccnc(C#N)c1)C1CC1
InChIInChI=1S/C13H17N3/c1-2-7-16(13-3-4-13)10-11-5-6-15-12(8-11)9-14/h5-6,8,13H,2-4,7,10H2,1H3
InChIKeyKHXZZMUHZIZYPC-UHFFFAOYSA-N
XLogP2.33
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carbonitrile
CID 63880798
4-[[cyclohexyl(ethyl)amino]methyl]pyridine-2-carbonitrile
CID 63884989
4-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbonitrile
CID 63881430
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-propylcyclopropanamine
CID 63887449
4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile
CID 63886159
4-[[(3-aminophenyl)methyl-cyclopropylamino]methyl]pyridine-2-carbonitrile
CID 63880970
4-[[cyclopropyl(piperidin-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile
CID 79713800
4-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile
CID 63883628
3-[cyclopropyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]propanenitrile
CID 62470702
5-[[cyclopropyl(propyl)amino]methyl]-2-methoxybenzonitrile
CID 65344348
4-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carbonitrile
CID 115384913
4-[[methyl(piperidin-3-yl)amino]methyl]pyridine-2-carbonitrile
CID 63880611

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(propyl)amino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[cyclopropyl(propyl)amino]methyl]pyridine-2-carbonitrile (CID 63883631) is 4-[[cyclopropyl(propyl)amino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[cyclopropyl(propyl)amino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[cyclopropyl(propyl)amino]methyl]pyridine-2-carbonitrile is CCCN(Cc1ccnc(C#N)c1)C1CC1.
What is the InChIKey of 4-[[cyclopropyl(propyl)amino]methyl]pyridine-2-carbonitrile?
The InChIKey is KHXZZMUHZIZYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-2-7-16(13-3-4-13)10-11-5-6-15-12(8-11)9-14/h5-6,8,13H,2-4,7,10H2,1H3.
What are the key properties of 4-[[cyclopropyl(propyl)amino]methyl]pyridine-2-carbonitrile?
4-[[cyclopropyl(propyl)amino]methyl]pyridine-2-carbonitrile has a molecular weight of 215.30 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(propyl)amino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63883631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).