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

C16H15N5O2 — CID 109213382

IUPAC4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
SMILESCc1cc(Nc2ccnc(C(=O)NCc3ccncc3)c2)no1
InChIInChI=1S/C16H15N5O2/c1-11-8-15(21-23-11)20-13-4-7-18-14(9-13)16(22)19-10-12-2-5-17-6-3-12/h2-9H,10H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyFGMMLBDZGFFULW-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.45
Rot. Bonds5

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

4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide (PubChem CID 109213382) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
PubChem CID109213382
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
SMILESCc1cc(Nc2ccnc(C(=O)NCc3ccncc3)c2)no1
InChIInChI=1S/C16H15N5O2/c1-11-8-15(21-23-11)20-13-4-7-18-14(9-13)16(22)19-10-12-2-5-17-6-3-12/h2-9H,10H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyFGMMLBDZGFFULW-UHFFFAOYSA-N
XLogP2.45
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide (CID 109213382) is 4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide is Cc1cc(Nc2ccnc(C(=O)NCc3ccncc3)c2)no1.
What is the InChIKey of 4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The InChIKey is FGMMLBDZGFFULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-11-8-15(21-23-11)20-13-4-7-18-14(9-13)16(22)19-10-12-2-5-17-6-3-12/h2-9H,10H2,1H3,(H,19,22)(H,18,20,21).
What are the key properties of 4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109213382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).