3,5-dichloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine

C12H17Cl2N3 — CID 61222948

IUPAC3,5-dichloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine
SMILESCC(CN1CCCC1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2N3/c1-9(8-17-4-2-3-5-17)16-12-11(14)6-10(13)7-15-12/h6-7,9H,2-5,8H2,1H3,(H,15,16)
InChIKeyUNTVCCFCCBVDNK-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.28
Rot. Bonds4

About 3,5-dichloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine

3,5-dichloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine (PubChem CID 61222948) has the molecular formula C12H17Cl2N3 and a molecular weight of 274.19 g/mol. Its IUPAC name is 3,5-dichloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine
PubChem CID61222948
Molecular FormulaC12H17Cl2N3
Molecular Weight274.19 g/mol
Exact Mass273.08
IUPAC Name3,5-dichloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine
SMILESCC(CN1CCCC1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2N3/c1-9(8-17-4-2-3-5-17)16-12-11(14)6-10(13)7-15-12/h6-7,9H,2-5,8H2,1H3,(H,15,16)
InChIKeyUNTVCCFCCBVDNK-UHFFFAOYSA-N
XLogP3.28
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-(5-methylhexan-2-yl)pyridin-2-amine
CID 63925501
5-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridin-2-amine
CID 103582417
3,5-dichloro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 54899459
5-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796067
6-chloro-4-N-(1-piperidin-1-ylpropan-2-yl)pyrimidine-4,5-diamine
CID 63022906
3-bromo-5-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine
CID 79534792
6-chloro-5-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine
CID 63728295
4-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde
CID 66366326
2-(azepan-1-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide
CID 8538814
6-chloro-N-(1-piperidin-1-ylpropan-2-yl)-5-propylpyrimidin-4-amine
CID 63729469
3,6-dichloro-N-(1-piperidin-1-ylpropan-2-yl)-1,2,4-triazin-5-amine
CID 81036944
6-chloro-4,5-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)pyridazin-3-amine
CID 55168144

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine (CID 61222948) is 3,5-dichloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine is CC(CN1CCCC1)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine?
The InChIKey is UNTVCCFCCBVDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3/c1-9(8-17-4-2-3-5-17)16-12-11(14)6-10(13)7-15-12/h6-7,9H,2-5,8H2,1H3,(H,15,16).
What are the key properties of 3,5-dichloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine?
3,5-dichloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine has a molecular weight of 274.19 g/mol, XLogP of 3.28, 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-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine is sourced from PubChem (CID 61222948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).