3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine

C10H14ClN3 — CID 79841307

IUPAC3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine
SMILESClc1cnccc1NCC1CCCN1
InChIInChI=1S/C10H14ClN3/c11-9-7-12-5-3-10(9)14-6-8-2-1-4-13-8/h3,5,7-8,13H,1-2,4,6H2,(H,12,14)
InChIKeyIAZSMBVPLODLGG-UHFFFAOYSA-N
MW211.70 g/mol
LogP1.90
Rot. Bonds3

About 3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine

3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine (PubChem CID 79841307) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine
PubChem CID79841307
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine
SMILESClc1cnccc1NCC1CCCN1
InChIInChI=1S/C10H14ClN3/c11-9-7-12-5-3-10(9)14-6-8-2-1-4-13-8/h3,5,7-8,13H,1-2,4,6H2,(H,12,14)
InChIKeyIAZSMBVPLODLGG-UHFFFAOYSA-N
XLogP1.90
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(aminomethyl)cyclohexyl]methyl]-3-chloropyridin-4-amine
CID 79840186
3-chloro-N-[(4-chlorocyclohexyl)methyl]pyridin-4-amine
CID 106125656
3-chloro-4-(pyrrolidin-2-ylmethoxy)pyridine
CID 79840170
2-chloro-4-methyl-N-(piperidin-2-ylmethyl)aniline
CID 106633070
3-chloro-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide
CID 66484559
3-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-4-amine
CID 79840711
3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine
CID 79841586
2-chloro-N-(piperidin-2-ylmethyl)-4-(trifluoromethyl)aniline
CID 106633355
2-chloro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)aniline
CID 17389755
7-bromo-N-(pyrrolidin-2-ylmethyl)-1,5-naphthyridin-4-amine
CID 113394440
3-chloro-N-(pyrrolidin-2-ylmethyl)quinoxalin-2-amine
CID 71640743
3-chloro-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine
CID 97164043

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine?
The IUPAC name of 3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine (CID 79841307) is 3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine.
What is the SMILES notation for 3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine?
The canonical SMILES for 3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine is Clc1cnccc1NCC1CCCN1.
What is the InChIKey of 3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine?
The InChIKey is IAZSMBVPLODLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c11-9-7-12-5-3-10(9)14-6-8-2-1-4-13-8/h3,5,7-8,13H,1-2,4,6H2,(H,12,14).
What are the key properties of 3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine?
3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine has a molecular weight of 211.70 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine is sourced from PubChem (CID 79841307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).