3-chloro-2-[pentyl(propan-2-yl)amino]pyridine-4-carbonitrile

C14H20ClN3 — CID 107057326

IUPAC3-chloro-2-[pentyl(propan-2-yl)amino]pyridine-4-carbonitrile
SMILESCCCCCN(c1nccc(C#N)c1Cl)C(C)C
InChIInChI=1S/C14H20ClN3/c1-4-5-6-9-18(11(2)3)14-13(15)12(10-16)7-8-17-14/h7-8,11H,4-6,9H2,1-3H3
InChIKeySIKRQYJAJKYZOL-UHFFFAOYSA-N
MW265.79 g/mol
LogP4.01
Rot. Bonds6

About 3-chloro-2-[pentyl(propan-2-yl)amino]pyridine-4-carbonitrile

3-chloro-2-[pentyl(propan-2-yl)amino]pyridine-4-carbonitrile (PubChem CID 107057326) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 3-chloro-2-[pentyl(propan-2-yl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-[pentyl(propan-2-yl)amino]pyridine-4-carbonitrile
PubChem CID107057326
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name3-chloro-2-[pentyl(propan-2-yl)amino]pyridine-4-carbonitrile
SMILESCCCCCN(c1nccc(C#N)c1Cl)C(C)C
InChIInChI=1S/C14H20ClN3/c1-4-5-6-9-18(11(2)3)14-13(15)12(10-16)7-8-17-14/h7-8,11H,4-6,9H2,1-3H3
InChIKeySIKRQYJAJKYZOL-UHFFFAOYSA-N
XLogP4.01
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-[1-cyanopropan-2-yl(methyl)amino]pyridine-4-carbonitrile
CID 107056611
3-chloro-2-[ethyl(methyl)amino]pyridine-4-carbonitrile
CID 107056896
3-chloro-2-[2-hydroxypropyl(methyl)amino]pyridine-4-carbonitrile
CID 107057550
3-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-4-carbonitrile
CID 107057272
3-chloro-2-[2,2-difluoroethyl(methyl)amino]pyridine-4-carbonitrile
CID 107058480
3-chloro-2-[cyclopropylmethyl(propyl)amino]pyridine-4-carbonitrile
CID 107057155
4-(aminomethyl)-3-chloro-N-propan-2-yl-N-propylpyridin-2-amine
CID 107055104
3-[butan-2-yl(butyl)amino]pyridazine-4-carbonitrile
CID 80510513
1-[2-[pentyl(propan-2-yl)amino]-3-pyridinyl]ethanol
CID 114055973
5-amino-6-[pentyl(propan-2-yl)amino]pyridine-3-carbonitrile
CID 103468013
3-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carbonitrile
CID 107058051
3-chloro-2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile
CID 107059128

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[pentyl(propan-2-yl)amino]pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-[pentyl(propan-2-yl)amino]pyridine-4-carbonitrile (CID 107057326) is 3-chloro-2-[pentyl(propan-2-yl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-[pentyl(propan-2-yl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-[pentyl(propan-2-yl)amino]pyridine-4-carbonitrile is CCCCCN(c1nccc(C#N)c1Cl)C(C)C.
What is the InChIKey of 3-chloro-2-[pentyl(propan-2-yl)amino]pyridine-4-carbonitrile?
The InChIKey is SIKRQYJAJKYZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-4-5-6-9-18(11(2)3)14-13(15)12(10-16)7-8-17-14/h7-8,11H,4-6,9H2,1-3H3.
What are the key properties of 3-chloro-2-[pentyl(propan-2-yl)amino]pyridine-4-carbonitrile?
3-chloro-2-[pentyl(propan-2-yl)amino]pyridine-4-carbonitrile has a molecular weight of 265.79 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[pentyl(propan-2-yl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 107057326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).