5-amino-6-[pentyl(propan-2-yl)amino]pyridine-3-carbonitrile

C14H22N4 — CID 103468013

IUPAC5-amino-6-[pentyl(propan-2-yl)amino]pyridine-3-carbonitrile
SMILESCCCCCN(c1ncc(C#N)cc1N)C(C)C
InChIInChI=1S/C14H22N4/c1-4-5-6-7-18(11(2)3)14-13(16)8-12(9-15)10-17-14/h8,10-11H,4-7,16H2,1-3H3
InChIKeyHUHZAGLARSRFSM-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.94
Rot. Bonds6

About 5-amino-6-[pentyl(propan-2-yl)amino]pyridine-3-carbonitrile

5-amino-6-[pentyl(propan-2-yl)amino]pyridine-3-carbonitrile (PubChem CID 103468013) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 5-amino-6-[pentyl(propan-2-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-[pentyl(propan-2-yl)amino]pyridine-3-carbonitrile
PubChem CID103468013
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name5-amino-6-[pentyl(propan-2-yl)amino]pyridine-3-carbonitrile
SMILESCCCCCN(c1ncc(C#N)cc1N)C(C)C
InChIInChI=1S/C14H22N4/c1-4-5-6-7-18(11(2)3)14-13(16)8-12(9-15)10-17-14/h8,10-11H,4-7,16H2,1-3H3
InChIKeyHUHZAGLARSRFSM-UHFFFAOYSA-N
XLogP2.94
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-amino-6-[benzyl(propan-2-yl)amino]pyridine-3-carbonitrile
CID 103467234
4-N-pentyl-4-N-propan-2-ylpyrimidine-4,5-diamine
CID 79918544
5-amino-6-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbonitrile
CID 103468022
5-amino-6-[3-hydroxybutyl(methyl)amino]pyridine-3-carbonitrile
CID 103469180
5-amino-6-[1-cyclopropylethyl(2-methoxyethyl)amino]pyridine-3-carbonitrile
CID 103468029
5-amino-6-[2-[di(propan-2-yl)amino]ethoxy]pyridine-3-carbonitrile
CID 103469781
5-amino-6-[2,2-difluoroethyl(methyl)amino]pyridine-3-carbonitrile
CID 103469188
5-amino-6-[methyl-[3-(methylamino)propyl]amino]pyridine-3-carbonitrile
CID 103468814
5-amino-2-[butan-2-yl(butyl)amino]pyridine-3-carbonitrile
CID 55005204
3-chloro-2-[pentyl(propan-2-yl)amino]pyridine-4-carbonitrile
CID 107057326
4-N-pentyl-4-N-propan-2-ylquinazoline-4,6-diamine
CID 64587916
3-bromo-4-[pentyl(propan-2-yl)amino]benzonitrile
CID 82798518

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[pentyl(propan-2-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-[pentyl(propan-2-yl)amino]pyridine-3-carbonitrile (CID 103468013) is 5-amino-6-[pentyl(propan-2-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-[pentyl(propan-2-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-[pentyl(propan-2-yl)amino]pyridine-3-carbonitrile is CCCCCN(c1ncc(C#N)cc1N)C(C)C.
What is the InChIKey of 5-amino-6-[pentyl(propan-2-yl)amino]pyridine-3-carbonitrile?
The InChIKey is HUHZAGLARSRFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-4-5-6-7-18(11(2)3)14-13(16)8-12(9-15)10-17-14/h8,10-11H,4-7,16H2,1-3H3.
What are the key properties of 5-amino-6-[pentyl(propan-2-yl)amino]pyridine-3-carbonitrile?
5-amino-6-[pentyl(propan-2-yl)amino]pyridine-3-carbonitrile has a molecular weight of 246.36 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[pentyl(propan-2-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 103468013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).