5-chloro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine

C12H18ClN3 — CID 63304263

IUPAC5-chloro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
SMILESCCCN(c1ccc(Cl)cn1)C1CCNC1
InChIInChI=1S/C12H18ClN3/c1-2-7-16(11-5-6-14-9-11)12-4-3-10(13)8-15-12/h3-4,8,11,14H,2,5-7,9H2,1H3
InChIKeyYBLRFGXGMJWJHJ-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.31
Rot. Bonds4

About 5-chloro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine

5-chloro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine (PubChem CID 63304263) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 5-chloro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
PubChem CID63304263
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name5-chloro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
SMILESCCCN(c1ccc(Cl)cn1)C1CCNC1
InChIInChI=1S/C12H18ClN3/c1-2-7-16(11-5-6-14-9-11)12-4-3-10(13)8-15-12/h3-4,8,11,14H,2,5-7,9H2,1H3
InChIKeyYBLRFGXGMJWJHJ-UHFFFAOYSA-N
XLogP2.31
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-propyl-N-pyrrolidin-3-ylpyridazin-3-amine
CID 63304490
5-chloro-N-propyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 105369954
4-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 79175870
3,5-difluoro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 112676147
6-[azetidin-3-yl(propyl)amino]pyridine-3-carbonitrile
CID 66214140
5-chloro-N-(2-chloroethyl)-N-cyclobutylpyridin-2-amine
CID 102871738
5-methyl-N-propyl-N-pyrrolidin-3-ylpyridazin-3-amine
CID 106550166
6-methylsulfanyl-N-propyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 106973223
4-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 63304533
4-propoxy-N-propyl-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 112638621
2-(4-chlorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 63301188
4-[propyl(pyrrolidin-3-yl)amino]pyridine-2-carbonitrile
CID 55205925

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine?
The IUPAC name of 5-chloro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine (CID 63304263) is 5-chloro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine.
What is the SMILES notation for 5-chloro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine?
The canonical SMILES for 5-chloro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine is CCCN(c1ccc(Cl)cn1)C1CCNC1.
What is the InChIKey of 5-chloro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine?
The InChIKey is YBLRFGXGMJWJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-2-7-16(11-5-6-14-9-11)12-4-3-10(13)8-15-12/h3-4,8,11,14H,2,5-7,9H2,1H3.
What are the key properties of 5-chloro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine?
5-chloro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine has a molecular weight of 239.75 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine is sourced from PubChem (CID 63304263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).