4-(5-methyl-2-pyridinyl)-N-(6-oxo-1H-pyridin-3-yl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide

C20H18N4O3 — CID 71198105

IUPAC4-(5-methyl-2-pyridinyl)-N-(6-oxo-1H-pyridin-3-yl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
SMILESCc1ccc(N2CCOc3c(C(=O)Nc4ccc(=O)[nH]c4)cccc32)nc1
InChIInChI=1S/C20H18N4O3/c1-13-5-7-17(21-11-13)24-9-10-27-19-15(3-2-4-16(19)24)20(26)23-14-6-8-18(25)22-12-14/h2-8,11-12H,9-10H2,1H3,(H,22,25)(H,23,26)
InChIKeyPLKATHKVZMAVSH-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.86
Rot. Bonds3

About 4-(5-methyl-2-pyridinyl)-N-(6-oxo-1H-pyridin-3-yl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide

4-(5-methyl-2-pyridinyl)-N-(6-oxo-1H-pyridin-3-yl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide (PubChem CID 71198105) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-(5-methyl-2-pyridinyl)-N-(6-oxo-1H-pyridin-3-yl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound Name4-(5-methyl-2-pyridinyl)-N-(6-oxo-1H-pyridin-3-yl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
PubChem CID71198105
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name4-(5-methyl-2-pyridinyl)-N-(6-oxo-1H-pyridin-3-yl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
SMILESCc1ccc(N2CCOc3c(C(=O)Nc4ccc(=O)[nH]c4)cccc32)nc1
InChIInChI=1S/C20H18N4O3/c1-13-5-7-17(21-11-13)24-9-10-27-19-15(3-2-4-16(19)24)20(26)23-14-6-8-18(25)22-12-14/h2-8,11-12H,9-10H2,1H3,(H,22,25)(H,23,26)
InChIKeyPLKATHKVZMAVSH-UHFFFAOYSA-N
XLogP2.86
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2-pyridinyl)-N-(6-oxo-1H-pyridin-3-yl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
The IUPAC name of 4-(5-methyl-2-pyridinyl)-N-(6-oxo-1H-pyridin-3-yl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide (CID 71198105) is 4-(5-methyl-2-pyridinyl)-N-(6-oxo-1H-pyridin-3-yl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for 4-(5-methyl-2-pyridinyl)-N-(6-oxo-1H-pyridin-3-yl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for 4-(5-methyl-2-pyridinyl)-N-(6-oxo-1H-pyridin-3-yl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide is Cc1ccc(N2CCOc3c(C(=O)Nc4ccc(=O)[nH]c4)cccc32)nc1.
What is the InChIKey of 4-(5-methyl-2-pyridinyl)-N-(6-oxo-1H-pyridin-3-yl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
The InChIKey is PLKATHKVZMAVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-13-5-7-17(21-11-13)24-9-10-27-19-15(3-2-4-16(19)24)20(26)23-14-6-8-18(25)22-12-14/h2-8,11-12H,9-10H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 4-(5-methyl-2-pyridinyl)-N-(6-oxo-1H-pyridin-3-yl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
4-(5-methyl-2-pyridinyl)-N-(6-oxo-1H-pyridin-3-yl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2-pyridinyl)-N-(6-oxo-1H-pyridin-3-yl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 71198105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).