2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

C14H17ClN4O2 — CID 71983485

IUPAC2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)C(C)N(C)Cc2ccc(Cl)nc2)on1
InChIInChI=1S/C14H17ClN4O2/c1-9-6-13(21-18-9)17-14(20)10(2)19(3)8-11-4-5-12(15)16-7-11/h4-7,10H,8H2,1-3H3,(H,17,20)
InChIKeyLGSRSVPNFJDEGQ-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.49
Rot. Bonds5

About 2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (PubChem CID 71983485) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
PubChem CID71983485
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)C(C)N(C)Cc2ccc(Cl)nc2)on1
InChIInChI=1S/C14H17ClN4O2/c1-9-6-13(21-18-9)17-14(20)10(2)19(3)8-11-4-5-12(15)16-7-11/h4-7,10H,8H2,1-3H3,(H,17,20)
InChIKeyLGSRSVPNFJDEGQ-UHFFFAOYSA-N
XLogP2.49
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.49
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
N-(5-chloro-2-pyridinyl)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]propanamide
CID 119042166
(2R)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 36969125
(2R)-2-[(2-bromophenyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 94589884
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 42957860
(2R)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)propanamide
CID 124507879
2-[(3,5-dichlorophenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 119041165
2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 46508622
(2R)-2-chloro-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 40953774
2-[methyl-[3-(3-methylsulfonylphenoxy)propyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 48941722
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide
CID 17454282
5-chloro-N-(3-methyl-1,2-oxazol-5-yl)pyrazine-2-carboxamide
CID 107371739

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (CID 71983485) is 2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is Cc1cc(NC(=O)C(C)N(C)Cc2ccc(Cl)nc2)on1.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The InChIKey is LGSRSVPNFJDEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-9-6-13(21-18-9)17-14(20)10(2)19(3)8-11-4-5-12(15)16-7-11/h4-7,10H,8H2,1-3H3,(H,17,20).
What are the key properties of 2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide has a molecular weight of 308.77 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 71983485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).