5-chloro-N-ethyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine

C15H19ClN4 — CID 114925871

IUPAC5-chloro-N-ethyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine
SMILESCCN(Cc1ccncc1)c1cc(CNC)c(Cl)cn1
InChIInChI=1S/C15H19ClN4/c1-3-20(11-12-4-6-18-7-5-12)15-8-13(9-17-2)14(16)10-19-15/h4-8,10,17H,3,9,11H2,1-2H3
InChIKeyNUFIGUNUHQIXFX-UHFFFAOYSA-N
MW290.80 g/mol
LogP2.88
Rot. Bonds6

About 5-chloro-N-ethyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine

5-chloro-N-ethyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine (PubChem CID 114925871) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 5-chloro-N-ethyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine
PubChem CID114925871
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name5-chloro-N-ethyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine
SMILESCCN(Cc1ccncc1)c1cc(CNC)c(Cl)cn1
InChIInChI=1S/C15H19ClN4/c1-3-20(11-12-4-6-18-7-5-12)15-8-13(9-17-2)14(16)10-19-15/h4-8,10,17H,3,9,11H2,1-2H3
InChIKeyNUFIGUNUHQIXFX-UHFFFAOYSA-N
XLogP2.88
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(2-ethoxyethyl)-N-ethyl-4-(methylaminomethyl)pyridin-2-amine
CID 114926489
N-ethyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine
CID 105073292
5-chloro-N-methyl-4-(methylaminomethyl)-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 114925260
N-ethyl-3-methyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 62136400
4-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 54948605
3-chloro-N-methyl-5-(methylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 55059008
5-chloro-N-[(2-chlorophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 114926249
2-N-ethyl-2-N-(pyridin-4-ylmethyl)pyrazine-2,5-diamine
CID 80653271
2-chloro-N-ethyl-4-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 81147968
[6-[ethyl(pyridin-4-ylmethyl)amino]-3-pyridinyl]methanol
CID 54948162
4-(aminomethyl)-3-chloro-N-ethyl-N-(pyridin-4-ylmethyl)aniline
CID 62944857
4-N,6-N-diethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80809064

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-ethyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine (CID 114925871) is 5-chloro-N-ethyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine is CCN(Cc1ccncc1)c1cc(CNC)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-ethyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine?
The InChIKey is NUFIGUNUHQIXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-3-20(11-12-4-6-18-7-5-12)15-8-13(9-17-2)14(16)10-19-15/h4-8,10,17H,3,9,11H2,1-2H3.
What are the key properties of 5-chloro-N-ethyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine?
5-chloro-N-ethyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine has a molecular weight of 290.80 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 114925871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).