3-chloro-2-(4-propan-2-ylanilino)pyridine-4-carbonitrile

C15H14ClN3 — CID 107056741

IUPAC3-chloro-2-(4-propan-2-ylanilino)pyridine-4-carbonitrile
SMILESCC(C)c1ccc(Nc2nccc(C#N)c2Cl)cc1
InChIInChI=1S/C15H14ClN3/c1-10(2)11-3-5-13(6-4-11)19-15-14(16)12(9-17)7-8-18-15/h3-8,10H,1-2H3,(H,18,19)
InChIKeyDXJNNMDYSJZXPK-UHFFFAOYSA-N
MW271.75 g/mol
LogP4.47
Rot. Bonds3

About 3-chloro-2-(4-propan-2-ylanilino)pyridine-4-carbonitrile

3-chloro-2-(4-propan-2-ylanilino)pyridine-4-carbonitrile (PubChem CID 107056741) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 3-chloro-2-(4-propan-2-ylanilino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-(4-propan-2-ylanilino)pyridine-4-carbonitrile
PubChem CID107056741
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name3-chloro-2-(4-propan-2-ylanilino)pyridine-4-carbonitrile
SMILESCC(C)c1ccc(Nc2nccc(C#N)c2Cl)cc1
InChIInChI=1S/C15H14ClN3/c1-10(2)11-3-5-13(6-4-11)19-15-14(16)12(9-17)7-8-18-15/h3-8,10H,1-2H3,(H,18,19)
InChIKeyDXJNNMDYSJZXPK-UHFFFAOYSA-N
XLogP4.47
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-(4-iodoanilino)pyridine-4-carbonitrile
CID 107056883
3-chloro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-4-carbonitrile
CID 107057605
3-chloro-2-(propan-2-ylamino)pyridine-4-carbonitrile
CID 107056636
3-chloro-2-(4-fluoro-3-methylanilino)pyridine-4-carbonitrile
CID 107057585
3-chloro-2-(3-fluoro-5-methylanilino)pyridine-4-carbonitrile
CID 107057985
2-chloro-5-[(3-chloro-4-cyano-2-pyridinyl)amino]benzoic acid
CID 107056312
3-chloro-2-(2-chloroanilino)pyridine-4-carbonitrile
CID 107056789
3-chloro-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)pyridine-4-carbonitrile
CID 107056708
3-amino-2-(3-propan-2-ylanilino)pyridine-4-carbonitrile
CID 82817363
3-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-4-carbonitrile
CID 107057219
3-chloro-2-(2-chloro-5-methylanilino)pyridine-4-carbonitrile
CID 107635144
2-[(2-amino-3-methylbutyl)amino]-3-chloropyridine-4-carbonitrile
CID 107061307

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-propan-2-ylanilino)pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-(4-propan-2-ylanilino)pyridine-4-carbonitrile (CID 107056741) is 3-chloro-2-(4-propan-2-ylanilino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-(4-propan-2-ylanilino)pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-(4-propan-2-ylanilino)pyridine-4-carbonitrile is CC(C)c1ccc(Nc2nccc(C#N)c2Cl)cc1.
What is the InChIKey of 3-chloro-2-(4-propan-2-ylanilino)pyridine-4-carbonitrile?
The InChIKey is DXJNNMDYSJZXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-10(2)11-3-5-13(6-4-11)19-15-14(16)12(9-17)7-8-18-15/h3-8,10H,1-2H3,(H,18,19).
What are the key properties of 3-chloro-2-(4-propan-2-ylanilino)pyridine-4-carbonitrile?
3-chloro-2-(4-propan-2-ylanilino)pyridine-4-carbonitrile has a molecular weight of 271.75 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4-propan-2-ylanilino)pyridine-4-carbonitrile is sourced from PubChem (CID 107056741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).