4-[1-[(2-chloro-4-methyl-3-pyridinyl)amino]ethyl]benzonitrile

C15H14ClN3 — CID 65482779

IUPAC4-[1-[(2-chloro-4-methyl-3-pyridinyl)amino]ethyl]benzonitrile
SMILESCc1ccnc(Cl)c1NC(C)c1ccc(C#N)cc1
InChIInChI=1S/C15H14ClN3/c1-10-7-8-18-15(16)14(10)19-11(2)13-5-3-12(9-17)4-6-13/h3-8,11,19H,1-2H3
InChIKeyWYRMJBRCZDDUJC-UHFFFAOYSA-N
MW271.75 g/mol
LogP4.09
Rot. Bonds3

About 4-[1-[(2-chloro-4-methyl-3-pyridinyl)amino]ethyl]benzonitrile

4-[1-[(2-chloro-4-methyl-3-pyridinyl)amino]ethyl]benzonitrile (PubChem CID 65482779) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 4-[1-[(2-chloro-4-methyl-3-pyridinyl)amino]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-[(2-chloro-4-methyl-3-pyridinyl)amino]ethyl]benzonitrile
PubChem CID65482779
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name4-[1-[(2-chloro-4-methyl-3-pyridinyl)amino]ethyl]benzonitrile
SMILESCc1ccnc(Cl)c1NC(C)c1ccc(C#N)cc1
InChIInChI=1S/C15H14ClN3/c1-10-7-8-18-15(16)14(10)19-11(2)13-5-3-12(9-17)4-6-13/h3-8,11,19H,1-2H3
InChIKeyWYRMJBRCZDDUJC-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[1-(4-fluorophenyl)ethyl]-4-methylpyridin-3-amine
CID 65482956
2-chloro-N-[1-(4-methoxyphenyl)ethyl]-4-methylpyridin-3-amine
CID 65483339
2-chloro-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyridin-3-amine
CID 65484915
5-[1-[(2-chloro-4-methyl-3-pyridinyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 65483753
4-[1-(2,6-difluoro-3-methylanilino)ethyl]benzonitrile
CID 82818775
2-chloro-N-[1-(3-methoxyphenyl)ethyl]-4-methylpyridin-3-amine
CID 65483939
2-[1-(4-chlorophenyl)ethylamino]pyridine-4-carbonitrile
CID 55021440
4-[1-(4-chloro-2-methylanilino)ethyl]benzonitrile
CID 43111374
4-[1-(4-cyanoanilino)ethyl]benzonitrile
CID 43195294
4-[1-(2,6-dibromo-4-methylanilino)ethyl]benzonitrile
CID 43126206
6-[[(1S)-1-(4-cyanophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 93318179
2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylpyridin-3-amine
CID 65484697

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-chloro-4-methyl-3-pyridinyl)amino]ethyl]benzonitrile?
The IUPAC name of 4-[1-[(2-chloro-4-methyl-3-pyridinyl)amino]ethyl]benzonitrile (CID 65482779) is 4-[1-[(2-chloro-4-methyl-3-pyridinyl)amino]ethyl]benzonitrile.
What is the SMILES notation for 4-[1-[(2-chloro-4-methyl-3-pyridinyl)amino]ethyl]benzonitrile?
The canonical SMILES for 4-[1-[(2-chloro-4-methyl-3-pyridinyl)amino]ethyl]benzonitrile is Cc1ccnc(Cl)c1NC(C)c1ccc(C#N)cc1.
What is the InChIKey of 4-[1-[(2-chloro-4-methyl-3-pyridinyl)amino]ethyl]benzonitrile?
The InChIKey is WYRMJBRCZDDUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-10-7-8-18-15(16)14(10)19-11(2)13-5-3-12(9-17)4-6-13/h3-8,11,19H,1-2H3.
What are the key properties of 4-[1-[(2-chloro-4-methyl-3-pyridinyl)amino]ethyl]benzonitrile?
4-[1-[(2-chloro-4-methyl-3-pyridinyl)amino]ethyl]benzonitrile has a molecular weight of 271.75 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-chloro-4-methyl-3-pyridinyl)amino]ethyl]benzonitrile is sourced from PubChem (CID 65482779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).