3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine

C11H16ClN3 — CID 79841586

IUPAC3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine
SMILESCN1CCC(CNc2ccncc2Cl)C1
InChIInChI=1S/C11H16ClN3/c1-15-5-3-9(8-15)6-14-11-2-4-13-7-10(11)12/h2,4,7,9H,3,5-6,8H2,1H3,(H,13,14)
InChIKeySJLBABVGRXHYJC-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.10
Rot. Bonds3

About 3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine

3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine (PubChem CID 79841586) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine
PubChem CID79841586
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine
SMILESCN1CCC(CNc2ccncc2Cl)C1
InChIInChI=1S/C11H16ClN3/c1-15-5-3-9(8-15)6-14-11-2-4-13-7-10(11)12/h2,4,7,9H,3,5-6,8H2,1H3,(H,13,14)
InChIKeySJLBABVGRXHYJC-UHFFFAOYSA-N
XLogP2.10
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine?
The IUPAC name of 3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine (CID 79841586) is 3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine?
The canonical SMILES for 3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine is CN1CCC(CNc2ccncc2Cl)C1.
What is the InChIKey of 3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine?
The InChIKey is SJLBABVGRXHYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-15-5-3-9(8-15)6-14-11-2-4-13-7-10(11)12/h2,4,7,9H,3,5-6,8H2,1H3,(H,13,14).
What are the key properties of 3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine?
3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine has a molecular weight of 225.72 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 79841586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).