4-[formyl(methyl)amino]-N-methyl-N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]pyridine-3-carboxamide

C16H20N4O3 — CID 134381884

IUPAC4-[formyl(methyl)amino]-N-methyl-N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]pyridine-3-carboxamide
SMILESCc1cc(CCCN(C)C(=O)c2cnccc2N(C)C=O)on1
InChIInChI=1S/C16H20N4O3/c1-12-9-13(23-18-12)5-4-8-19(2)16(22)14-10-17-7-6-15(14)20(3)11-21/h6-7,9-11H,4-5,8H2,1-3H3
InChIKeyNUJNVHSTHXTZTK-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.68
Rot. Bonds7

About 4-[formyl(methyl)amino]-N-methyl-N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]pyridine-3-carboxamide

4-[formyl(methyl)amino]-N-methyl-N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]pyridine-3-carboxamide (PubChem CID 134381884) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-[formyl(methyl)amino]-N-methyl-N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[formyl(methyl)amino]-N-methyl-N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]pyridine-3-carboxamide
PubChem CID134381884
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name4-[formyl(methyl)amino]-N-methyl-N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]pyridine-3-carboxamide
SMILESCc1cc(CCCN(C)C(=O)c2cnccc2N(C)C=O)on1
InChIInChI=1S/C16H20N4O3/c1-12-9-13(23-18-12)5-4-8-19(2)16(22)14-10-17-7-6-15(14)20(3)11-21/h6-7,9-11H,4-5,8H2,1-3H3
InChIKeyNUJNVHSTHXTZTK-UHFFFAOYSA-N
XLogP1.68
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[formyl(methyl)amino]-N-methyl-N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]pyridine-3-carboxamide?
The IUPAC name of 4-[formyl(methyl)amino]-N-methyl-N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]pyridine-3-carboxamide (CID 134381884) is 4-[formyl(methyl)amino]-N-methyl-N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-[formyl(methyl)amino]-N-methyl-N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]pyridine-3-carboxamide?
The canonical SMILES for 4-[formyl(methyl)amino]-N-methyl-N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]pyridine-3-carboxamide is Cc1cc(CCCN(C)C(=O)c2cnccc2N(C)C=O)on1.
What is the InChIKey of 4-[formyl(methyl)amino]-N-methyl-N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]pyridine-3-carboxamide?
The InChIKey is NUJNVHSTHXTZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-12-9-13(23-18-12)5-4-8-19(2)16(22)14-10-17-7-6-15(14)20(3)11-21/h6-7,9-11H,4-5,8H2,1-3H3.
What are the key properties of 4-[formyl(methyl)amino]-N-methyl-N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]pyridine-3-carboxamide?
4-[formyl(methyl)amino]-N-methyl-N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]pyridine-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.68, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[formyl(methyl)amino]-N-methyl-N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 134381884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).