2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-4-amine

C13H14ClN3 — CID 102824317

IUPAC2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-4-amine
SMILESCc1cccc(CN(C)c2ccnc(Cl)c2)n1
InChIInChI=1S/C13H14ClN3/c1-10-4-3-5-11(16-10)9-17(2)12-6-7-15-13(14)8-12/h3-8H,9H2,1-2H3
InChIKeyYDUXSRGPKWHLPQ-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.07
Rot. Bonds3

About 2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-4-amine

2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-4-amine (PubChem CID 102824317) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-4-amine
PubChem CID102824317
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-4-amine
SMILESCc1cccc(CN(C)c2ccnc(Cl)c2)n1
InChIInChI=1S/C13H14ClN3/c1-10-4-3-5-11(16-10)9-17(2)12-6-7-15-13(14)8-12/h3-8H,9H2,1-2H3
InChIKeyYDUXSRGPKWHLPQ-UHFFFAOYSA-N
XLogP3.07
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.07
H-Bond Donors ≤ 50
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-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-4-amine
CID 103721834
2-chloro-N-[(4-chlorophenyl)methyl]-N-methylpyridin-4-amine
CID 102824052
4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazol-2-amine
CID 83155755
2-chloro-N-(furan-3-ylmethyl)-N-methylpyridin-4-amine
CID 103756524
N'-(2-chloro-4-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine
CID 103757162
3-iodo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-4-nitroaniline
CID 106494629
2-chloro-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine
CID 103756761
6-chloro-2-cyclopropyl-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 80951090
4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 79004039
3-(aminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 102814188
N'-hydroxy-2-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzenecarboximidamide
CID 81273309
5-chloro-N-methyl-4-(methylaminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 114926811

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-4-amine?
The IUPAC name of 2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-4-amine (CID 102824317) is 2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-4-amine?
The canonical SMILES for 2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-4-amine is Cc1cccc(CN(C)c2ccnc(Cl)c2)n1.
What is the InChIKey of 2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-4-amine?
The InChIKey is YDUXSRGPKWHLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-10-4-3-5-11(16-10)9-17(2)12-6-7-15-13(14)8-12/h3-8H,9H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-4-amine?
2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-4-amine has a molecular weight of 247.73 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-4-amine is sourced from PubChem (CID 102824317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).