3-chloro-N-methyl-5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)pyridin-2-amine

C15H19ClN4 — CID 62281580

IUPAC3-chloro-N-methyl-5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)pyridin-2-amine
SMILESCNCc1cnc(N(C)CCc2ccncc2)c(Cl)c1
InChIInChI=1S/C15H19ClN4/c1-17-10-13-9-14(16)15(19-11-13)20(2)8-5-12-3-6-18-7-4-12/h3-4,6-7,9,11,17H,5,8,10H2,1-2H3
InChIKeyMKLIWKRMIFZILC-UHFFFAOYSA-N
MW290.80 g/mol
LogP2.53
Rot. Bonds6

About 3-chloro-N-methyl-5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)pyridin-2-amine

3-chloro-N-methyl-5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)pyridin-2-amine (PubChem CID 62281580) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 3-chloro-N-methyl-5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)pyridin-2-amine
PubChem CID62281580
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name3-chloro-N-methyl-5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)pyridin-2-amine
SMILESCNCc1cnc(N(C)CCc2ccncc2)c(Cl)c1
InChIInChI=1S/C15H19ClN4/c1-17-10-13-9-14(16)15(19-11-13)20(2)8-5-12-3-6-18-7-4-12/h3-4,6-7,9,11,17H,5,8,10H2,1-2H3
InChIKeyMKLIWKRMIFZILC-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-methyl-5-(methylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 55059008
2-chloro-N-methyl-4-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)aniline
CID 81148547
N-butyl-3-chloro-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62285991
N-methyl-5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 62284014
5-chloro-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,3-diamine
CID 80503008
3-chloro-N-methyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 55054537
N-methyl-4-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)pyridin-3-amine
CID 105073101
3-chloro-N-methyl-2-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)aniline
CID 60912716
5-(aminomethyl)-N,3-dimethyl-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 80630342
N'-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 55059364
3-chloro-N-methyl-5-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 62282315
2-chloro-N,5-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 79075884

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-methyl-5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)pyridin-2-amine (CID 62281580) is 3-chloro-N-methyl-5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-methyl-5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-methyl-5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)pyridin-2-amine is CNCc1cnc(N(C)CCc2ccncc2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-methyl-5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)pyridin-2-amine?
The InChIKey is MKLIWKRMIFZILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-17-10-13-9-14(16)15(19-11-13)20(2)8-5-12-3-6-18-7-4-12/h3-4,6-7,9,11,17H,5,8,10H2,1-2H3.
What are the key properties of 3-chloro-N-methyl-5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)pyridin-2-amine?
3-chloro-N-methyl-5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)pyridin-2-amine has a molecular weight of 290.80 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)pyridin-2-amine is sourced from PubChem (CID 62281580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).