2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(2,6-dimethylphenyl)propanamide

C18H22ClN3O — CID 119042157

IUPAC2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(2,6-dimethylphenyl)propanamide
SMILESCc1cccc(C)c1NC(=O)C(C)N(C)Cc1ccc(Cl)nc1
InChIInChI=1S/C18H22ClN3O/c1-12-6-5-7-13(2)17(12)21-18(23)14(3)22(4)11-15-8-9-16(19)20-10-15/h5-10,14H,11H2,1-4H3,(H,21,23)
InChIKeyQNRCCXYIOPBDJA-UHFFFAOYSA-N
MW331.85 g/mol
LogP3.81
Rot. Bonds5

About 2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(2,6-dimethylphenyl)propanamide

2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(2,6-dimethylphenyl)propanamide (PubChem CID 119042157) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is 2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(2,6-dimethylphenyl)propanamide.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(2,6-dimethylphenyl)propanamide
PubChem CID119042157
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(2,6-dimethylphenyl)propanamide
SMILESCc1cccc(C)c1NC(=O)C(C)N(C)Cc1ccc(Cl)nc1
InChIInChI=1S/C18H22ClN3O/c1-12-6-5-7-13(2)17(12)21-18(23)14(3)22(4)11-15-8-9-16(19)20-10-15/h5-10,14H,11H2,1-4H3,(H,21,23)
InChIKeyQNRCCXYIOPBDJA-UHFFFAOYSA-N
XLogP3.81
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 53.81
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

N-(5-chloro-2-pyridinyl)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]propanamide
CID 119042166
2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 71983485
(2S)-N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9494913
(2R)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)propanamide
CID 124507879
(2R)-2-[[4-(dimethylamino)phenyl]methyl-methylamino]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 9030159
(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methyl-methylamino]propanamide
CID 9041912
(2S)-2-[(4-tert-butylphenyl)methyl-methylamino]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 9042651
(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9037230
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 9038911
N-(2-chloro-4,6-dimethylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]propanamide
CID 55525219
[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 6-chloropyridine-3-carboxylate
CID 8017637
(2S)-2-(diethylamino)-N-(2,6-dimethylphenyl)propanamide
CID 7044016

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(2,6-dimethylphenyl)propanamide?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(2,6-dimethylphenyl)propanamide (CID 119042157) is 2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(2,6-dimethylphenyl)propanamide.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(2,6-dimethylphenyl)propanamide?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(2,6-dimethylphenyl)propanamide is Cc1cccc(C)c1NC(=O)C(C)N(C)Cc1ccc(Cl)nc1.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(2,6-dimethylphenyl)propanamide?
The InChIKey is QNRCCXYIOPBDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-12-6-5-7-13(2)17(12)21-18(23)14(3)22(4)11-15-8-9-16(19)20-10-15/h5-10,14H,11H2,1-4H3,(H,21,23).
What are the key properties of 2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(2,6-dimethylphenyl)propanamide?
2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(2,6-dimethylphenyl)propanamide has a molecular weight of 331.85 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(2,6-dimethylphenyl)propanamide is sourced from PubChem (CID 119042157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).