5-chloro-N-ethyl-6-[(2-methylpyrrolidin-1-yl)methyl]pyridin-2-amine

C13H20ClN3 — CID 62890748

IUPAC5-chloro-N-ethyl-6-[(2-methylpyrrolidin-1-yl)methyl]pyridin-2-amine
SMILESCCNc1ccc(Cl)c(CN2CCCC2C)n1
InChIInChI=1S/C13H20ClN3/c1-3-15-13-7-6-11(14)12(16-13)9-17-8-4-5-10(17)2/h6-7,10H,3-5,8-9H2,1-2H3,(H,15,16)
InChIKeyBPRHETWMNPGAGE-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.15
Rot. Bonds4

About 5-chloro-N-ethyl-6-[(2-methylpyrrolidin-1-yl)methyl]pyridin-2-amine

5-chloro-N-ethyl-6-[(2-methylpyrrolidin-1-yl)methyl]pyridin-2-amine (PubChem CID 62890748) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 5-chloro-N-ethyl-6-[(2-methylpyrrolidin-1-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-6-[(2-methylpyrrolidin-1-yl)methyl]pyridin-2-amine
PubChem CID62890748
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name5-chloro-N-ethyl-6-[(2-methylpyrrolidin-1-yl)methyl]pyridin-2-amine
SMILESCCNc1ccc(Cl)c(CN2CCCC2C)n1
InChIInChI=1S/C13H20ClN3/c1-3-15-13-7-6-11(14)12(16-13)9-17-8-4-5-10(17)2/h6-7,10H,3-5,8-9H2,1-2H3,(H,15,16)
InChIKeyBPRHETWMNPGAGE-UHFFFAOYSA-N
XLogP3.15
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-Chloro-2-pyridinyl)-4-piperidinamine hydrochloride
CID 131746
1-(6-Chloro-2-pyridinyl)-4-piperidinamine
CID 131747
1-(6-Chloropyridin-2-yl)piperazine
CID 3024499
6-Chloro-1,2,3,4,9,9a-hexahydro-2,4a,5-triaza-fluorene
CID 9837204
2-Chloro-6-(4-methylpiperazino)pyridine
CID 10727230
(9R,13R)-4-chloro-13-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene
CID 44409031
(9S,13R)-4-chloro-13-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene
CID 44409032
Piperazine, 1-(6-chloro-2-pyridinyl)-, monohydrochloride
CID 3024498
Piperazine, 1-(6-methyl-2-pyridinyl)-, dihydrochloride
CID 3078152
1-(6-Methylpyridin-2-YL)-1,4-diazepane
CID 24208848
2-N-(2-chlorophenyl)-4-N,6-dimethyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine
CID 44530796
2-N-(4-chlorophenyl)-4-N,6-dimethyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine
CID 44530799

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-6-[(2-methylpyrrolidin-1-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-ethyl-6-[(2-methylpyrrolidin-1-yl)methyl]pyridin-2-amine (CID 62890748) is 5-chloro-N-ethyl-6-[(2-methylpyrrolidin-1-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-6-[(2-methylpyrrolidin-1-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-6-[(2-methylpyrrolidin-1-yl)methyl]pyridin-2-amine is CCNc1ccc(Cl)c(CN2CCCC2C)n1.
What is the InChIKey of 5-chloro-N-ethyl-6-[(2-methylpyrrolidin-1-yl)methyl]pyridin-2-amine?
The InChIKey is BPRHETWMNPGAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-3-15-13-7-6-11(14)12(16-13)9-17-8-4-5-10(17)2/h6-7,10H,3-5,8-9H2,1-2H3,(H,15,16).
What are the key properties of 5-chloro-N-ethyl-6-[(2-methylpyrrolidin-1-yl)methyl]pyridin-2-amine?
5-chloro-N-ethyl-6-[(2-methylpyrrolidin-1-yl)methyl]pyridin-2-amine has a molecular weight of 253.78 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-6-[(2-methylpyrrolidin-1-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 62890748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).