3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine

C14H20ClN5 — CID 63026181

IUPAC3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
SMILESCCNCc1cnc(N(C)Cc2nccn2C)c(Cl)c1
InChIInChI=1S/C14H20ClN5/c1-4-16-8-11-7-12(15)14(18-9-11)20(3)10-13-17-5-6-19(13)2/h5-7,9,16H,4,8,10H2,1-3H3
InChIKeyCQAXZHCNXDIEIS-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.21
Rot. Bonds6

About 3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine

3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine (PubChem CID 63026181) has the molecular formula C14H20ClN5 and a molecular weight of 293.80 g/mol. Its IUPAC name is 3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
PubChem CID63026181
Molecular FormulaC14H20ClN5
Molecular Weight293.80 g/mol
Exact Mass293.14
IUPAC Name3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
SMILESCCNCc1cnc(N(C)Cc2nccn2C)c(Cl)c1
InChIInChI=1S/C14H20ClN5/c1-4-16-8-11-7-12(15)14(18-9-11)20(3)10-13-17-5-6-19(13)2/h5-7,9,16H,4,8,10H2,1-3H3
InChIKeyCQAXZHCNXDIEIS-UHFFFAOYSA-N
XLogP2.21
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine (CID 63026181) is 3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine is CCNCc1cnc(N(C)Cc2nccn2C)c(Cl)c1.
What is the InChIKey of 3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine?
The InChIKey is CQAXZHCNXDIEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5/c1-4-16-8-11-7-12(15)14(18-9-11)20(3)10-13-17-5-6-19(13)2/h5-7,9,16H,4,8,10H2,1-3H3.
What are the key properties of 3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine?
3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine has a molecular weight of 293.80 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 63026181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).