6-chloro-4-methyl-N-[(3-propylimidazol-4-yl)methyl]pyridin-3-amine

C13H17ClN4 — CID 114256350

IUPAC6-chloro-4-methyl-N-[(3-propylimidazol-4-yl)methyl]pyridin-3-amine
SMILESCCCn1cncc1CNc1cnc(Cl)cc1C
InChIInChI=1S/C13H17ClN4/c1-3-4-18-9-15-6-11(18)7-16-12-8-17-13(14)5-10(12)2/h5-6,8-9,16H,3-4,7H2,1-2H3
InChIKeyGHNNYFGITKOWLR-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.26
Rot. Bonds5

About 6-chloro-4-methyl-N-[(3-propylimidazol-4-yl)methyl]pyridin-3-amine

6-chloro-4-methyl-N-[(3-propylimidazol-4-yl)methyl]pyridin-3-amine (PubChem CID 114256350) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 6-chloro-4-methyl-N-[(3-propylimidazol-4-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-4-methyl-N-[(3-propylimidazol-4-yl)methyl]pyridin-3-amine
PubChem CID114256350
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name6-chloro-4-methyl-N-[(3-propylimidazol-4-yl)methyl]pyridin-3-amine
SMILESCCCn1cncc1CNc1cnc(Cl)cc1C
InChIInChI=1S/C13H17ClN4/c1-3-4-18-9-15-6-11(18)7-16-12-8-17-13(14)5-10(12)2/h5-6,8-9,16H,3-4,7H2,1-2H3
InChIKeyGHNNYFGITKOWLR-UHFFFAOYSA-N
XLogP3.26
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6-chloro-4-methyl-N-[(3-propylimidazol-4-yl)methyl]pyridin-3-amine?
The IUPAC name of 6-chloro-4-methyl-N-[(3-propylimidazol-4-yl)methyl]pyridin-3-amine (CID 114256350) is 6-chloro-4-methyl-N-[(3-propylimidazol-4-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-chloro-4-methyl-N-[(3-propylimidazol-4-yl)methyl]pyridin-3-amine?
The canonical SMILES for 6-chloro-4-methyl-N-[(3-propylimidazol-4-yl)methyl]pyridin-3-amine is CCCn1cncc1CNc1cnc(Cl)cc1C.
What is the InChIKey of 6-chloro-4-methyl-N-[(3-propylimidazol-4-yl)methyl]pyridin-3-amine?
The InChIKey is GHNNYFGITKOWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-3-4-18-9-15-6-11(18)7-16-12-8-17-13(14)5-10(12)2/h5-6,8-9,16H,3-4,7H2,1-2H3.
What are the key properties of 6-chloro-4-methyl-N-[(3-propylimidazol-4-yl)methyl]pyridin-3-amine?
6-chloro-4-methyl-N-[(3-propylimidazol-4-yl)methyl]pyridin-3-amine has a molecular weight of 264.76 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methyl-N-[(3-propylimidazol-4-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 114256350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).