3,5-dichloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine

C11H15Cl2N3 — CID 60855947

IUPAC3,5-dichloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
SMILESCN1CCC(CNc2ncc(Cl)cc2Cl)C1
InChIInChI=1S/C11H15Cl2N3/c1-16-3-2-8(7-16)5-14-11-10(13)4-9(12)6-15-11/h4,6,8H,2-3,5,7H2,1H3,(H,14,15)
InChIKeySQJZXQKYJPWOPL-UHFFFAOYSA-N
MW260.17 g/mol
LogP2.75
Rot. Bonds3

About 3,5-dichloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine

3,5-dichloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine (PubChem CID 60855947) has the molecular formula C11H15Cl2N3 and a molecular weight of 260.17 g/mol. Its IUPAC name is 3,5-dichloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
PubChem CID60855947
Molecular FormulaC11H15Cl2N3
Molecular Weight260.17 g/mol
Exact Mass259.06
IUPAC Name3,5-dichloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
SMILESCN1CCC(CNc2ncc(Cl)cc2Cl)C1
InChIInChI=1S/C11H15Cl2N3/c1-16-3-2-8(7-16)5-14-11-10(13)4-9(12)6-15-11/h4,6,8H,2-3,5,7H2,1H3,(H,14,15)
InChIKeySQJZXQKYJPWOPL-UHFFFAOYSA-N
XLogP2.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 106026698
3,5-dichloro-N-(1-methylpyrrolidin-3-yl)pyridin-2-amine
CID 61465020
5-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 105369328
3,5,6-trichloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine
CID 102750847
3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazin-2-amine
CID 83065208
2,5-dichloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 79632916
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443706
3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine
CID 79841586
3-chloro-2-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2,5-diamine
CID 114046183
3,5-dichloro-6-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,6-diamine
CID 102757522
2-N,5-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 80790393
6-chloro-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 78931860

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine (CID 60855947) is 3,5-dichloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine is CN1CCC(CNc2ncc(Cl)cc2Cl)C1.
What is the InChIKey of 3,5-dichloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine?
The InChIKey is SQJZXQKYJPWOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3/c1-16-3-2-8(7-16)5-14-11-10(13)4-9(12)6-15-11/h4,6,8H,2-3,5,7H2,1H3,(H,14,15).
What are the key properties of 3,5-dichloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine?
3,5-dichloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine has a molecular weight of 260.17 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 60855947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).