2-chloro-4-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine

C11H16ClN3 — CID 106638659

IUPAC2-chloro-4-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine
SMILESCc1ccnc(Cl)c1NCC1CCCN1
InChIInChI=1S/C11H16ClN3/c1-8-4-6-14-11(12)10(8)15-7-9-3-2-5-13-9/h4,6,9,13,15H,2-3,5,7H2,1H3
InChIKeyWVQCYZVCLHXSKT-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.21
Rot. Bonds3

About 2-chloro-4-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine

2-chloro-4-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine (PubChem CID 106638659) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine
PubChem CID106638659
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name2-chloro-4-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine
SMILESCc1ccnc(Cl)c1NCC1CCCN1
InChIInChI=1S/C11H16ClN3/c1-8-4-6-14-11(12)10(8)15-7-9-3-2-5-13-9/h4,6,9,13,15H,2-3,5,7H2,1H3
InChIKeyWVQCYZVCLHXSKT-UHFFFAOYSA-N
XLogP2.21
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.21
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-(1-pyrrolidin-2-ylpropan-2-yl)pyridin-3-amine
CID 79541327
2-chloro-4-methyl-N-[(5-methyloxolan-2-yl)methyl]pyridin-3-amine
CID 82836185
3-bromo-4-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106876097
2,3,5,6-tetramethyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208055
N-(2,4-dimethyl-3-pyridinyl)-2-pyrrolidin-2-ylacetamide
CID 112741904
2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 83836780
2,6-dichloro-N-(piperidin-2-ylmethyl)aniline
CID 106634051
3-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 106876235
3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine
CID 79841307
2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71643330
5-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 116974799
3-chloro-N-(pyrrolidin-2-ylmethyl)quinoxalin-2-amine
CID 71640743

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine?
The IUPAC name of 2-chloro-4-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine (CID 106638659) is 2-chloro-4-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 2-chloro-4-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine?
The canonical SMILES for 2-chloro-4-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine is Cc1ccnc(Cl)c1NCC1CCCN1.
What is the InChIKey of 2-chloro-4-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine?
The InChIKey is WVQCYZVCLHXSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-8-4-6-14-11(12)10(8)15-7-9-3-2-5-13-9/h4,6,9,13,15H,2-3,5,7H2,1H3.
What are the key properties of 2-chloro-4-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine?
2-chloro-4-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine has a molecular weight of 225.72 g/mol, XLogP of 2.21, 3 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-(pyrrolidin-2-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 106638659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).