2-chloro-4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pyridin-3-amine

C13H20ClN3 — CID 79541327

IUPAC2-chloro-4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pyridin-3-amine
SMILESCc1ccnc(Cl)c1NC(C)CC1CCCN1
InChIInChI=1S/C13H20ClN3/c1-9-5-7-16-13(14)12(9)17-10(2)8-11-4-3-6-15-11/h5,7,10-11,15,17H,3-4,6,8H2,1-2H3
InChIKeyPHQLICBOAZHMST-UHFFFAOYSA-N
MW253.78 g/mol
LogP2.99
Rot. Bonds4

About 2-chloro-4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pyridin-3-amine

2-chloro-4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pyridin-3-amine (PubChem CID 79541327) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pyridin-3-amine
PubChem CID79541327
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name2-chloro-4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pyridin-3-amine
SMILESCc1ccnc(Cl)c1NC(C)CC1CCCN1
InChIInChI=1S/C13H20ClN3/c1-9-5-7-16-13(14)12(9)17-10(2)8-11-4-3-6-15-11/h5,7,10-11,15,17H,3-4,6,8H2,1-2H3
InChIKeyPHQLICBOAZHMST-UHFFFAOYSA-N
XLogP2.99
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine
CID 106638659
N-(2,4-dimethyl-3-pyridinyl)-2-pyrrolidin-2-ylacetamide
CID 112741904
2,6-dibromo-4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540891
4-propan-2-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541004
N-(1-pyrrolidin-2-ylpropan-2-yl)pyridin-3-amine
CID 79541111
3-chloro-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549743
5-chloro-N-(1-piperidin-2-ylpropan-2-yl)-1,3-benzothiazol-4-amine
CID 79548676
2,4,6-tribromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541024
N-[1-(azepan-2-yl)propan-2-yl]-4-chloroaniline
CID 79553516
2-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpyridin-3-amine
CID 114830017
2,6-dimethyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenol
CID 79541859
8-methyl-N-(1-piperidin-2-ylpropan-2-yl)quinolin-5-amine
CID 79537260

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pyridin-3-amine?
The IUPAC name of 2-chloro-4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pyridin-3-amine (CID 79541327) is 2-chloro-4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pyridin-3-amine.
What is the SMILES notation for 2-chloro-4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pyridin-3-amine?
The canonical SMILES for 2-chloro-4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pyridin-3-amine is Cc1ccnc(Cl)c1NC(C)CC1CCCN1.
What is the InChIKey of 2-chloro-4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pyridin-3-amine?
The InChIKey is PHQLICBOAZHMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-9-5-7-16-13(14)12(9)17-10(2)8-11-4-3-6-15-11/h5,7,10-11,15,17H,3-4,6,8H2,1-2H3.
What are the key properties of 2-chloro-4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pyridin-3-amine?
2-chloro-4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pyridin-3-amine has a molecular weight of 253.78 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pyridin-3-amine is sourced from PubChem (CID 79541327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).