3-[(2-chloro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide

C11H16ClN3O — CID 103757167

IUPAC3-[(2-chloro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1ccnc(Cl)c1
InChIInChI=1S/C11H16ClN3O/c1-8(11(16)13-2)7-15(3)9-4-5-14-10(12)6-9/h4-6,8H,7H2,1-3H3,(H,13,16)
InChIKeyCOKIPZLCPPIRPX-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.55
Rot. Bonds4

About 3-[(2-chloro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide

3-[(2-chloro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide (PubChem CID 103757167) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-[(2-chloro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(2-chloro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide
PubChem CID103757167
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name3-[(2-chloro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1ccnc(Cl)c1
InChIInChI=1S/C11H16ClN3O/c1-8(11(16)13-2)7-15(3)9-4-5-14-10(12)6-9/h4-6,8H,7H2,1-3H3,(H,13,16)
InChIKeyCOKIPZLCPPIRPX-UHFFFAOYSA-N
XLogP1.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chloro-4-pyridinyl)-methylamino]-N-methylpropanamide
CID 103756780
2-chloro-N-methyl-N-(2-methylbutyl)pyridin-4-amine
CID 103756833
3-[3-chloro-4-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide
CID 106916395
2-[[(2-chloro-4-pyridinyl)-methylamino]methyl]butanoic acid
CID 177061326
3-[3-(aminomethyl)-N-methylanilino]-N,2-dimethylpropanamide
CID 106914482
(2R)-3-[(5-amino-3-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 124681136
N-methyl-2-[methyl-[(2R)-2-methyl-3-(methylamino)-3-oxopropyl]amino]-N-phenylpyridine-4-carboxamide
CID 97044601
N,2-dimethyl-3-[methyl-(6-oxo-1H-pyridazin-4-yl)amino]propanamide
CID 106918884
2-[(2-chloro-4-pyridinyl)-ethylamino]-N-methylacetamide
CID 102824068
5-amino-6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid
CID 106917773
3-[(6-chloro-3-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 106917521
3-[[3-(aminomethyl)-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide
CID 106914478

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[(2-chloro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide (CID 103757167) is 3-[(2-chloro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[(2-chloro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[(2-chloro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)c1ccnc(Cl)c1.
What is the InChIKey of 3-[(2-chloro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide?
The InChIKey is COKIPZLCPPIRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-8(11(16)13-2)7-15(3)9-4-5-14-10(12)6-9/h4-6,8H,7H2,1-3H3,(H,13,16).
What are the key properties of 3-[(2-chloro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide?
3-[(2-chloro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide has a molecular weight of 241.72 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 103757167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).