5-(6-chloro-5-pyrrolidin-1-yl-3-pyridinyl)-N,6-dimethylpyridin-3-amine

C16H19ClN4 — CID 134379191

IUPAC5-(6-chloro-5-pyrrolidin-1-yl-3-pyridinyl)-N,6-dimethylpyridin-3-amine
SMILESCNc1cnc(C)c(-c2cnc(Cl)c(N3CCCC3)c2)c1
InChIInChI=1S/C16H19ClN4/c1-11-14(8-13(18-2)10-19-11)12-7-15(16(17)20-9-12)21-5-3-4-6-21/h7-10,18H,3-6H2,1-2H3
InChIKeyGLONQOQVUISSLW-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.75
Rot. Bonds3

About 5-(6-chloro-5-pyrrolidin-1-yl-3-pyridinyl)-N,6-dimethylpyridin-3-amine

5-(6-chloro-5-pyrrolidin-1-yl-3-pyridinyl)-N,6-dimethylpyridin-3-amine (PubChem CID 134379191) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is 5-(6-chloro-5-pyrrolidin-1-yl-3-pyridinyl)-N,6-dimethylpyridin-3-amine.

Molecular Properties

Compound Name5-(6-chloro-5-pyrrolidin-1-yl-3-pyridinyl)-N,6-dimethylpyridin-3-amine
PubChem CID134379191
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC Name5-(6-chloro-5-pyrrolidin-1-yl-3-pyridinyl)-N,6-dimethylpyridin-3-amine
SMILESCNc1cnc(C)c(-c2cnc(Cl)c(N3CCCC3)c2)c1
InChIInChI=1S/C16H19ClN4/c1-11-14(8-13(18-2)10-19-11)12-7-15(16(17)20-9-12)21-5-3-4-6-21/h7-10,18H,3-6H2,1-2H3
InChIKeyGLONQOQVUISSLW-UHFFFAOYSA-N
XLogP3.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.75
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 5-(6-chloro-5-pyrrolidin-1-yl-3-pyridinyl)-N,6-dimethylpyridin-3-amine?
The IUPAC name of 5-(6-chloro-5-pyrrolidin-1-yl-3-pyridinyl)-N,6-dimethylpyridin-3-amine (CID 134379191) is 5-(6-chloro-5-pyrrolidin-1-yl-3-pyridinyl)-N,6-dimethylpyridin-3-amine.
What is the SMILES notation for 5-(6-chloro-5-pyrrolidin-1-yl-3-pyridinyl)-N,6-dimethylpyridin-3-amine?
The canonical SMILES for 5-(6-chloro-5-pyrrolidin-1-yl-3-pyridinyl)-N,6-dimethylpyridin-3-amine is CNc1cnc(C)c(-c2cnc(Cl)c(N3CCCC3)c2)c1.
What is the InChIKey of 5-(6-chloro-5-pyrrolidin-1-yl-3-pyridinyl)-N,6-dimethylpyridin-3-amine?
The InChIKey is GLONQOQVUISSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c1-11-14(8-13(18-2)10-19-11)12-7-15(16(17)20-9-12)21-5-3-4-6-21/h7-10,18H,3-6H2,1-2H3.
What are the key properties of 5-(6-chloro-5-pyrrolidin-1-yl-3-pyridinyl)-N,6-dimethylpyridin-3-amine?
5-(6-chloro-5-pyrrolidin-1-yl-3-pyridinyl)-N,6-dimethylpyridin-3-amine has a molecular weight of 302.81 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-5-pyrrolidin-1-yl-3-pyridinyl)-N,6-dimethylpyridin-3-amine is sourced from PubChem (CID 134379191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).