5-chloro-N-ethyl-6-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine

C16H21ClN4 — CID 62292980

IUPAC5-chloro-N-ethyl-6-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine
SMILESCCNCc1nc(N(CC)Cc2ccncc2)ccc1Cl
InChIInChI=1S/C16H21ClN4/c1-3-18-11-15-14(17)5-6-16(20-15)21(4-2)12-13-7-9-19-10-8-13/h5-10,18H,3-4,11-12H2,1-2H3
InChIKeyHXCRYDODANVYSN-UHFFFAOYSA-N
MW304.83 g/mol
LogP3.27
Rot. Bonds7

About 5-chloro-N-ethyl-6-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine

5-chloro-N-ethyl-6-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine (PubChem CID 62292980) has the molecular formula C16H21ClN4 and a molecular weight of 304.83 g/mol. Its IUPAC name is 5-chloro-N-ethyl-6-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-6-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine
PubChem CID62292980
Molecular FormulaC16H21ClN4
Molecular Weight304.83 g/mol
Exact Mass304.15
IUPAC Name5-chloro-N-ethyl-6-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine
SMILESCCNCc1nc(N(CC)Cc2ccncc2)ccc1Cl
InChIInChI=1S/C16H21ClN4/c1-3-18-11-15-14(17)5-6-16(20-15)21(4-2)12-13-7-9-19-10-8-13/h5-10,18H,3-4,11-12H2,1-2H3
InChIKeyHXCRYDODANVYSN-UHFFFAOYSA-N
XLogP3.27
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.83
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(ethylaminomethyl)pyridin-2-amine
CID 63938138
5-chloro-N-ethyl-6-(ethylaminomethyl)-N-(2-ethylbutyl)pyridin-2-amine
CID 63489637
2-chloro-N-ethyl-4-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 81147968
[3-chloro-6-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol
CID 61255835
5-chloro-6-(ethylaminomethyl)-N-methyl-N-pentan-3-ylpyridin-2-amine
CID 62283603
N-butyl-5-chloro-N-ethyl-6-(propylaminomethyl)pyridin-2-amine
CID 55054566
5-chloro-N-ethyl-N-(2-methylpropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62280243
N-ethyl-2-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 61448906
5-chloro-6-(ethylaminomethyl)-N-methyl-N-pentan-2-ylpyridin-2-amine
CID 62282594
N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
CID 62891299
5-chloro-N-ethyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 114925871
5-chloro-6-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 62292842

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-6-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-ethyl-6-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine (CID 62292980) is 5-chloro-N-ethyl-6-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-6-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-6-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine is CCNCc1nc(N(CC)Cc2ccncc2)ccc1Cl.
What is the InChIKey of 5-chloro-N-ethyl-6-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine?
The InChIKey is HXCRYDODANVYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4/c1-3-18-11-15-14(17)5-6-16(20-15)21(4-2)12-13-7-9-19-10-8-13/h5-10,18H,3-4,11-12H2,1-2H3.
What are the key properties of 5-chloro-N-ethyl-6-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine?
5-chloro-N-ethyl-6-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine has a molecular weight of 304.83 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-6-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 62292980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).