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

C13H18N4 — CID 114132679

IUPAC4-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-2-carbonitrile
SMILESCC(CNc1ccnc(C#N)c1)N(C)C1CC1
InChIInChI=1S/C13H18N4/c1-10(17(2)13-3-4-13)9-16-11-5-6-15-12(7-11)8-14/h5-7,10,13H,3-4,9H2,1-2H3,(H,15,16)
InChIKeySVFWPSFXOHISGI-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.85
Rot. Bonds5

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

4-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-2-carbonitrile (PubChem CID 114132679) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-2-carbonitrile
PubChem CID114132679
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name4-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-2-carbonitrile
SMILESCC(CNc1ccnc(C#N)c1)N(C)C1CC1
InChIInChI=1S/C13H18N4/c1-10(17(2)13-3-4-13)9-16-11-5-6-15-12(7-11)8-14/h5-7,10,13H,3-4,9H2,1-2H3,(H,15,16)
InChIKeySVFWPSFXOHISGI-UHFFFAOYSA-N
XLogP1.85
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbonitrile
CID 62979748
4-(2,3-dimethylbutylamino)pyridine-2-carbonitrile
CID 64596884
4-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile
CID 62994209
4-[(2-methylcyclohexyl)methylamino]pyridine-2-carbonitrile
CID 62925361
5-bromo-2-[2-[cyclopropyl(methyl)amino]propylamino]benzonitrile
CID 114132670
4-[4-(dimethylamino)butylamino]pyridine-2-carbonitrile
CID 62925537
4-(5-methylhexylamino)pyridine-2-carbonitrile
CID 115325582
4-[2-(propylamino)ethylamino]pyridine-2-carbonitrile
CID 62926078
4-(methylamino)pyridine-2-carbonitrile
CID 45079907
4-[[4-(aminomethyl)cyclohexyl]methylamino]pyridine-2-carbonitrile
CID 114231608
4-(octan-2-ylamino)pyridine-2-carbonitrile
CID 62924662
2-[(2-cyano-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide
CID 103110286

Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-2-carbonitrile?
The IUPAC name of 4-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-2-carbonitrile (CID 114132679) is 4-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-2-carbonitrile?
The canonical SMILES for 4-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-2-carbonitrile is CC(CNc1ccnc(C#N)c1)N(C)C1CC1.
What is the InChIKey of 4-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-2-carbonitrile?
The InChIKey is SVFWPSFXOHISGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-10(17(2)13-3-4-13)9-16-11-5-6-15-12(7-11)8-14/h5-7,10,13H,3-4,9H2,1-2H3,(H,15,16).
What are the key properties of 4-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-2-carbonitrile?
4-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-2-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 114132679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).