N-(5-methyl-2-pyridinyl)-3-oxo-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-benzoxazine-6-carboxamide

C20H22N4O4 — CID 53085013

IUPACN-(5-methyl-2-pyridinyl)-3-oxo-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-benzoxazine-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)N(CC(=O)NC(C)C)C(=O)CO3)nc1
InChIInChI=1S/C20H22N4O4/c1-12(2)22-18(25)10-24-15-8-14(5-6-16(15)28-11-19(24)26)20(27)23-17-7-4-13(3)9-21-17/h4-9,12H,10-11H2,1-3H3,(H,22,25)(H,21,23,27)
InChIKeyOAYYIYCYHSPVEO-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.89
Rot. Bonds5

About N-(5-methyl-2-pyridinyl)-3-oxo-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-benzoxazine-6-carboxamide

N-(5-methyl-2-pyridinyl)-3-oxo-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-benzoxazine-6-carboxamide (PubChem CID 53085013) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-3-oxo-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-3-oxo-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-benzoxazine-6-carboxamide
PubChem CID53085013
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN-(5-methyl-2-pyridinyl)-3-oxo-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-benzoxazine-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)N(CC(=O)NC(C)C)C(=O)CO3)nc1
InChIInChI=1S/C20H22N4O4/c1-12(2)22-18(25)10-24-15-8-14(5-6-16(15)28-11-19(24)26)20(27)23-17-7-4-13(3)9-21-17/h4-9,12H,10-11H2,1-3H3,(H,22,25)(H,21,23,27)
InChIKeyOAYYIYCYHSPVEO-UHFFFAOYSA-N
XLogP1.89
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5-methyl-2-pyridinyl)-3-oxo-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-benzoxazine-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-[3-oxo-6-(thiophene-2-carbonyl)-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide
CID 46960507
2-[6-[2-(4-chloro-2-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide
CID 42846646
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(5-chloro-2-pyridinyl)acetamide
CID 6473257
N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 669665
2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 126424746
2-(3-oxo-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-4-yl)-N-propan-2-ylacetamide
CID 20861558
2-[6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide
CID 53012847
2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide
CID 18773522
4-benzyl-N-(4-methylphenyl)-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53023806
2-[3-oxo-6-(pyrrolidine-1-carbonyl)-1,4-benzoxazin-4-yl]-N-pyridin-2-ylacetamide
CID 53004283
N,N-diethyl-4-[2-(3-methylanilino)-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53012392
4-[6-[2-(3-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylbutanamide
CID 42846807

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-3-oxo-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-3-oxo-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-benzoxazine-6-carboxamide (CID 53085013) is N-(5-methyl-2-pyridinyl)-3-oxo-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-3-oxo-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-3-oxo-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-benzoxazine-6-carboxamide is Cc1ccc(NC(=O)c2ccc3c(c2)N(CC(=O)NC(C)C)C(=O)CO3)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-3-oxo-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-benzoxazine-6-carboxamide?
The InChIKey is OAYYIYCYHSPVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-12(2)22-18(25)10-24-15-8-14(5-6-16(15)28-11-19(24)26)20(27)23-17-7-4-13(3)9-21-17/h4-9,12H,10-11H2,1-3H3,(H,22,25)(H,21,23,27).
What are the key properties of N-(5-methyl-2-pyridinyl)-3-oxo-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-benzoxazine-6-carboxamide?
N-(5-methyl-2-pyridinyl)-3-oxo-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-benzoxazine-6-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-3-oxo-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 53085013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).