2-chloro-N-(2-imidazol-1-ylethyl)-N-methyl-5-propan-2-ylpyridin-4-amine

C14H19ClN4 — CID 167933391

IUPAC2-chloro-N-(2-imidazol-1-ylethyl)-N-methyl-5-propan-2-ylpyridin-4-amine
SMILESCC(C)c1cnc(Cl)cc1N(C)CCn1ccnc1
InChIInChI=1S/C14H19ClN4/c1-11(2)12-9-17-14(15)8-13(12)18(3)6-7-19-5-4-16-10-19/h4-5,8-11H,6-7H2,1-3H3
InChIKeyYLZZSZLDHPFDHR-UHFFFAOYSA-N
MW278.79 g/mol
LogP3.19
Rot. Bonds5

About 2-chloro-N-(2-imidazol-1-ylethyl)-N-methyl-5-propan-2-ylpyridin-4-amine

2-chloro-N-(2-imidazol-1-ylethyl)-N-methyl-5-propan-2-ylpyridin-4-amine (PubChem CID 167933391) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 2-chloro-N-(2-imidazol-1-ylethyl)-N-methyl-5-propan-2-ylpyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2-imidazol-1-ylethyl)-N-methyl-5-propan-2-ylpyridin-4-amine
PubChem CID167933391
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name2-chloro-N-(2-imidazol-1-ylethyl)-N-methyl-5-propan-2-ylpyridin-4-amine
SMILESCC(C)c1cnc(Cl)cc1N(C)CCn1ccnc1
InChIInChI=1S/C14H19ClN4/c1-11(2)12-9-17-14(15)8-13(12)18(3)6-7-19-5-4-16-10-19/h4-5,8-11H,6-7H2,1-3H3
InChIKeyYLZZSZLDHPFDHR-UHFFFAOYSA-N
XLogP3.19
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 53.19
H-Bond Donors ≤ 50
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 2-chloro-N-(2-imidazol-1-ylethyl)-N-methyl-5-propan-2-ylpyridin-4-amine?
The IUPAC name of 2-chloro-N-(2-imidazol-1-ylethyl)-N-methyl-5-propan-2-ylpyridin-4-amine (CID 167933391) is 2-chloro-N-(2-imidazol-1-ylethyl)-N-methyl-5-propan-2-ylpyridin-4-amine.
What is the SMILES notation for 2-chloro-N-(2-imidazol-1-ylethyl)-N-methyl-5-propan-2-ylpyridin-4-amine?
The canonical SMILES for 2-chloro-N-(2-imidazol-1-ylethyl)-N-methyl-5-propan-2-ylpyridin-4-amine is CC(C)c1cnc(Cl)cc1N(C)CCn1ccnc1.
What is the InChIKey of 2-chloro-N-(2-imidazol-1-ylethyl)-N-methyl-5-propan-2-ylpyridin-4-amine?
The InChIKey is YLZZSZLDHPFDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-11(2)12-9-17-14(15)8-13(12)18(3)6-7-19-5-4-16-10-19/h4-5,8-11H,6-7H2,1-3H3.
What are the key properties of 2-chloro-N-(2-imidazol-1-ylethyl)-N-methyl-5-propan-2-ylpyridin-4-amine?
2-chloro-N-(2-imidazol-1-ylethyl)-N-methyl-5-propan-2-ylpyridin-4-amine has a molecular weight of 278.79 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-imidazol-1-ylethyl)-N-methyl-5-propan-2-ylpyridin-4-amine is sourced from PubChem (CID 167933391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).