3,5-dichloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine

C13H19Cl2N3 — CID 106618965

IUPAC3,5-dichloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
SMILESCC(C)N(CC1CCCN1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2N3/c1-9(2)18(8-11-4-3-5-16-11)13-12(15)6-10(14)7-17-13/h6-7,9,11,16H,3-5,8H2,1-2H3
InChIKeySXVGZJIIEAPMNV-UHFFFAOYSA-N
MW288.22 g/mol
LogP3.36
Rot. Bonds4

About 3,5-dichloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine

3,5-dichloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine (PubChem CID 106618965) has the molecular formula C13H19Cl2N3 and a molecular weight of 288.22 g/mol. Its IUPAC name is 3,5-dichloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
PubChem CID106618965
Molecular FormulaC13H19Cl2N3
Molecular Weight288.22 g/mol
Exact Mass287.10
IUPAC Name3,5-dichloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
SMILESCC(C)N(CC1CCCN1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2N3/c1-9(2)18(8-11-4-3-5-16-11)13-12(15)6-10(14)7-17-13/h6-7,9,11,16H,3-5,8H2,1-2H3
InChIKeySXVGZJIIEAPMNV-UHFFFAOYSA-N
XLogP3.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 106641533
3,5-dichloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620995
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine
CID 83837370
5-amino-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 137004380
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,2,4-triazin-3-amine
CID 83838459
4-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine
CID 106619127
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106618925
4,6-dimethyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 106618773
3-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrazin-2-one
CID 106641472
N-[(4,6-dichloro-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632234
3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazine-2-carbonitrile
CID 106641480
4-chloro-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106618868

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine (CID 106618965) is 3,5-dichloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine is CC(C)N(CC1CCCN1)c1ncc(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The InChIKey is SXVGZJIIEAPMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3/c1-9(2)18(8-11-4-3-5-16-11)13-12(15)6-10(14)7-17-13/h6-7,9,11,16H,3-5,8H2,1-2H3.
What are the key properties of 3,5-dichloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
3,5-dichloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine has a molecular weight of 288.22 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 106618965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).