N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-6-oxo-1H-pyridine-2-carboxamide

C20H21N5O4 — CID 46883389

IUPACN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cccc(=O)[nH]3)cc2)no1
InChIInChI=1S/C20H21N5O4/c1-20(2,3)15-11-16(25-29-15)24-19(28)22-13-9-7-12(8-10-13)21-18(27)14-5-4-6-17(26)23-14/h4-11H,1-3H3,(H,21,27)(H,23,26)(H2,22,24,25,28)
InChIKeyPKGGIVMAKWKCSS-UHFFFAOYSA-N
MW395.42 g/mol
LogP3.56
Rot. Bonds4

About N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-6-oxo-1H-pyridine-2-carboxamide

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 46883389) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-6-oxo-1H-pyridine-2-carboxamide
PubChem CID46883389
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cccc(=O)[nH]3)cc2)no1
InChIInChI=1S/C20H21N5O4/c1-20(2,3)15-11-16(25-29-15)24-19(28)22-13-9-7-12(8-10-13)21-18(27)14-5-4-6-17(26)23-14/h4-11H,1-3H3,(H,21,27)(H,23,26)(H2,22,24,25,28)
InChIKeyPKGGIVMAKWKCSS-UHFFFAOYSA-N
XLogP3.56
TPSA129.12 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 53.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-6-oxo-1H-pyridine-2-carboxamide (CID 46883389) is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-6-oxo-1H-pyridine-2-carboxamide is CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cccc(=O)[nH]3)cc2)no1.
What is the InChIKey of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is PKGGIVMAKWKCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-20(2,3)15-11-16(25-29-15)24-19(28)22-13-9-7-12(8-10-13)21-18(27)14-5-4-6-17(26)23-14/h4-11H,1-3H3,(H,21,27)(H,23,26)(H2,22,24,25,28).
What are the key properties of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-6-oxo-1H-pyridine-2-carboxamide?
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 3.56, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 46883389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).