4-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-5-carboxamide

C14H18N4O2 — CID 66335871

IUPAC4-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)NCCCNCc1cccnc1
InChIInChI=1S/C14H18N4O2/c1-11-8-18-20-13(11)14(19)17-7-3-6-16-10-12-4-2-5-15-9-12/h2,4-5,8-9,16H,3,6-7,10H2,1H3,(H,17,19)
InChIKeyARXNIYFUBDKYBW-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.29
Rot. Bonds7

About 4-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-5-carboxamide

4-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-5-carboxamide (PubChem CID 66335871) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-5-carboxamide
PubChem CID66335871
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)NCCCNCc1cccnc1
InChIInChI=1S/C14H18N4O2/c1-11-8-18-20-13(11)14(19)17-7-3-6-16-10-12-4-2-5-15-9-12/h2,4-5,8-9,16H,3,6-7,10H2,1H3,(H,17,19)
InChIKeyARXNIYFUBDKYBW-UHFFFAOYSA-N
XLogP1.29
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,7-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1-benzofuran-2-carboxamide
CID 86779911
2-fluoro-3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide;hydrochloride
CID 86779912
3-fluoro-5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 86779903
2,5-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]pyrazole-3-carboxamide
CID 66126278
N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide
CID 43600549
N-[3-(pyridin-3-ylmethylamino)propyl]pentanamide
CID 43600569
6-chloro-N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide
CID 86779907
N-[3-(pyridin-3-ylmethylamino)propyl]octanamide
CID 43600563
6-chloro-N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide;hydrochloride
CID 86779906
2-oxo-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-dihydroimidazole-4-carboxamide
CID 43600464
2,2-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclopropane-1-carboxamide
CID 104872228
N-[3-[(3-ethylphenyl)methylamino]propyl]pyridine-3-carboxamide
CID 142242395

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-5-carboxamide (CID 66335871) is 4-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-5-carboxamide is Cc1cnoc1C(=O)NCCCNCc1cccnc1.
What is the InChIKey of 4-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-5-carboxamide?
The InChIKey is ARXNIYFUBDKYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-11-8-18-20-13(11)14(19)17-7-3-6-16-10-12-4-2-5-15-9-12/h2,4-5,8-9,16H,3,6-7,10H2,1H3,(H,17,19).
What are the key properties of 4-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-5-carboxamide?
4-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-5-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 66335871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).