2-chloro-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyridin-3-amine

C13H14ClN3 — CID 81311469

IUPAC2-chloro-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyridin-3-amine
SMILESCc1ccc(CNc2c(C)ccnc2Cl)nc1
InChIInChI=1S/C13H14ClN3/c1-9-3-4-11(16-7-9)8-17-12-10(2)5-6-15-13(12)14/h3-7,17H,8H2,1-2H3
InChIKeyZHTDQWWKRCGJKI-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.36
Rot. Bonds3

About 2-chloro-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyridin-3-amine

2-chloro-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyridin-3-amine (PubChem CID 81311469) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyridin-3-amine
PubChem CID81311469
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name2-chloro-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyridin-3-amine
SMILESCc1ccc(CNc2c(C)ccnc2Cl)nc1
InChIInChI=1S/C13H14ClN3/c1-9-3-4-11(16-7-9)8-17-12-10(2)5-6-15-13(12)14/h3-7,17H,8H2,1-2H3
InChIKeyZHTDQWWKRCGJKI-UHFFFAOYSA-N
XLogP3.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.36
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyridin-3-amine?
The IUPAC name of 2-chloro-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyridin-3-amine (CID 81311469) is 2-chloro-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyridin-3-amine.
What is the SMILES notation for 2-chloro-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyridin-3-amine?
The canonical SMILES for 2-chloro-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyridin-3-amine is Cc1ccc(CNc2c(C)ccnc2Cl)nc1.
What is the InChIKey of 2-chloro-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyridin-3-amine?
The InChIKey is ZHTDQWWKRCGJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-9-3-4-11(16-7-9)8-17-12-10(2)5-6-15-13(12)14/h3-7,17H,8H2,1-2H3.
What are the key properties of 2-chloro-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyridin-3-amine?
2-chloro-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyridin-3-amine has a molecular weight of 247.73 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyridin-3-amine is sourced from PubChem (CID 81311469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).