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

C11H12N4O2 — CID 55041801

IUPAC2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide
SMILESCc1cc(CNC(=O)c2ccnc(N)c2)no1
InChIInChI=1S/C11H12N4O2/c1-7-4-9(15-17-7)6-14-11(16)8-2-3-13-10(12)5-8/h2-5H,6H2,1H3,(H2,12,13)(H,14,16)
InChIKeyQXAKVUWMCSPDTK-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.89
Rot. Bonds3

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

2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide (PubChem CID 55041801) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide
PubChem CID55041801
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide
SMILESCc1cc(CNC(=O)c2ccnc(N)c2)no1
InChIInChI=1S/C11H12N4O2/c1-7-4-9(15-17-7)6-14-11(16)8-2-3-13-10(12)5-8/h2-5H,6H2,1H3,(H2,12,13)(H,14,16)
InChIKeyQXAKVUWMCSPDTK-UHFFFAOYSA-N
XLogP0.89
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide
CID 62160023
4-amino-3-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 89340281
3-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide
CID 113447693
3,4-diethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47900987
3-bromo-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 79466321
3,5-dihydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 104938925
3-chloro-4-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47404576
6-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide
CID 66464919
4-bromo-3-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 80994028
3,4,5-trimethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728397
2-amino-N-benzylpyridine-4-carboxamide
CID 18752897
2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide
CID 114186911

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide (CID 55041801) is 2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide is Cc1cc(CNC(=O)c2ccnc(N)c2)no1.
What is the InChIKey of 2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide?
The InChIKey is QXAKVUWMCSPDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-7-4-9(15-17-7)6-14-11(16)8-2-3-13-10(12)5-8/h2-5H,6H2,1H3,(H2,12,13)(H,14,16).
What are the key properties of 2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide?
2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 55041801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).