(2R)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)propanamide

C17H19ClN4O2 — CID 124507879

IUPAC(2R)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)propanamide
SMILESCc1oc(NC(=O)[C@@H](C)N(C)Cc2ccc(Cl)nc2)c(C#N)c1C
InChIInChI=1S/C17H19ClN4O2/c1-10-12(3)24-17(14(10)7-19)21-16(23)11(2)22(4)9-13-5-6-15(18)20-8-13/h5-6,8,11H,9H2,1-4H3,(H,21,23)/t11-/m1/s1
InChIKeyOASZSJRGFIAEHS-LLVKDONJSA-N
MW346.82 g/mol
LogP3.28
Rot. Bonds5

About (2R)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)propanamide

(2R)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)propanamide (PubChem CID 124507879) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is (2R)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)propanamide
PubChem CID124507879
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name(2R)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)propanamide
SMILESCc1oc(NC(=O)[C@@H](C)N(C)Cc2ccc(Cl)nc2)c(C#N)c1C
InChIInChI=1S/C17H19ClN4O2/c1-10-12(3)24-17(14(10)7-19)21-16(23)11(2)22(4)9-13-5-6-15(18)20-8-13/h5-6,8,11H,9H2,1-4H3,(H,21,23)/t11-/m1/s1
InChIKeyOASZSJRGFIAEHS-LLVKDONJSA-N
XLogP3.28
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(2,6-dimethylphenyl)propanamide
CID 119042157
2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 71983485
N-(5-chloro-2-pyridinyl)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]propanamide
CID 119042166
(2R)-N-(4-cyanophenyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]propanamide
CID 2658774
2-methylpropyl N-(3-cyano-4,5-dimethylfuran-2-yl)carbamate
CID 108740181
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 16593722
(6-chloro-3-pyridinyl)methyl-methylcyanamide
CID 119085201
2-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 17405256
N-(3-cyano-4,5-dimethylfuran-2-yl)-4-methylbenzamide
CID 108762728
tert-butyl N-[1-[(6-chloro-3-pyridinyl)methyl-methylamino]-1-oxopropan-2-yl]carbamate
CID 78851204
2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide
CID 78836218
N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine
CID 112692351

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)propanamide?
The IUPAC name of (2R)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)propanamide (CID 124507879) is (2R)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)propanamide.
What is the SMILES notation for (2R)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)propanamide?
The canonical SMILES for (2R)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)propanamide is Cc1oc(NC(=O)[C@@H](C)N(C)Cc2ccc(Cl)nc2)c(C#N)c1C.
What is the InChIKey of (2R)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)propanamide?
The InChIKey is OASZSJRGFIAEHS-LLVKDONJSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-10-12(3)24-17(14(10)7-19)21-16(23)11(2)22(4)9-13-5-6-15(18)20-8-13/h5-6,8,11H,9H2,1-4H3,(H,21,23)/t11-/m1/s1.
What are the key properties of (2R)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)propanamide?
(2R)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)propanamide has a molecular weight of 346.82 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)propanamide is sourced from PubChem (CID 124507879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).