4-(5-methyl-2-pyridinyl)-N-(4-propoxyphenyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide

C24H25N3O3 — CID 11596544

IUPAC4-(5-methyl-2-pyridinyl)-N-(4-propoxyphenyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
SMILESCCCOc1ccc(NC(=O)c2cccc3c2OCCN3c2ccc(C)cn2)cc1
InChIInChI=1S/C24H25N3O3/c1-3-14-29-19-10-8-18(9-11-19)26-24(28)20-5-4-6-21-23(20)30-15-13-27(21)22-12-7-17(2)16-25-22/h4-12,16H,3,13-15H2,1-2H3,(H,26,28)
InChIKeyBNQAMNCQFAGBTR-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.96
Rot. Bonds6

About 4-(5-methyl-2-pyridinyl)-N-(4-propoxyphenyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide

4-(5-methyl-2-pyridinyl)-N-(4-propoxyphenyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide (PubChem CID 11596544) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 4-(5-methyl-2-pyridinyl)-N-(4-propoxyphenyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound Name4-(5-methyl-2-pyridinyl)-N-(4-propoxyphenyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
PubChem CID11596544
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name4-(5-methyl-2-pyridinyl)-N-(4-propoxyphenyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
SMILESCCCOc1ccc(NC(=O)c2cccc3c2OCCN3c2ccc(C)cn2)cc1
InChIInChI=1S/C24H25N3O3/c1-3-14-29-19-10-8-18(9-11-19)26-24(28)20-5-4-6-21-23(20)30-15-13-27(21)22-12-7-17(2)16-25-22/h4-12,16H,3,13-15H2,1-2H3,(H,26,28)
InChIKeyBNQAMNCQFAGBTR-UHFFFAOYSA-N
XLogP4.96
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethoxy-4-methylphenyl)-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CID 11625568
N-(4-ethoxy-3-fluorophenyl)-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CID 11567678
4-[5-(methylamino)-2-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CID 58600762
N-(3-fluoro-4-morpholin-4-ylphenyl)-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CID 58600935
N-(3-fluoro-4-morpholin-4-ylphenyl)-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide;methanol
CID 143166416
N-[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CID 58600772
N-(4-tert-butylphenyl)-4-[5-(methoxymethyl)-2-pyridinyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CID 58600859
N-[3-fluoro-4-(3-methoxypiperidin-1-yl)phenyl]-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CID 11627056
N-[2-(4-chlorophenyl)ethyl]-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CID 58601001
[[4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carbonyl]amino] 2-(2-methylpropoxy)benzoate
CID 174512437
N-(4-tert-butylpiperidin-1-yl)-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CID 58600983
N-(4-tert-butylphenyl)-4-(4-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CID 70662636

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2-pyridinyl)-N-(4-propoxyphenyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
The IUPAC name of 4-(5-methyl-2-pyridinyl)-N-(4-propoxyphenyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide (CID 11596544) is 4-(5-methyl-2-pyridinyl)-N-(4-propoxyphenyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for 4-(5-methyl-2-pyridinyl)-N-(4-propoxyphenyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for 4-(5-methyl-2-pyridinyl)-N-(4-propoxyphenyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide is CCCOc1ccc(NC(=O)c2cccc3c2OCCN3c2ccc(C)cn2)cc1.
What is the InChIKey of 4-(5-methyl-2-pyridinyl)-N-(4-propoxyphenyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
The InChIKey is BNQAMNCQFAGBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-3-14-29-19-10-8-18(9-11-19)26-24(28)20-5-4-6-21-23(20)30-15-13-27(21)22-12-7-17(2)16-25-22/h4-12,16H,3,13-15H2,1-2H3,(H,26,28).
What are the key properties of 4-(5-methyl-2-pyridinyl)-N-(4-propoxyphenyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
4-(5-methyl-2-pyridinyl)-N-(4-propoxyphenyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2-pyridinyl)-N-(4-propoxyphenyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 11596544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).