N-(6-acetamido-3-pyridinyl)-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide

C19H16N4O4 — CID 46273744

IUPACN-(6-acetamido-3-pyridinyl)-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2noc3c2COc2ccc(C)cc2-3)cn1
InChIInChI=1S/C19H16N4O4/c1-10-3-5-15-13(7-10)18-14(9-26-15)17(23-27-18)19(25)22-12-4-6-16(20-8-12)21-11(2)24/h3-8H,9H2,1-2H3,(H,22,25)(H,20,21,24)
InChIKeyNZLJXXCOLFQXHW-UHFFFAOYSA-N
MW364.36 g/mol
LogP3.15
Rot. Bonds3

About N-(6-acetamido-3-pyridinyl)-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide

N-(6-acetamido-3-pyridinyl)-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide (PubChem CID 46273744) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is N-(6-acetamido-3-pyridinyl)-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(6-acetamido-3-pyridinyl)-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
PubChem CID46273744
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC NameN-(6-acetamido-3-pyridinyl)-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2noc3c2COc2ccc(C)cc2-3)cn1
InChIInChI=1S/C19H16N4O4/c1-10-3-5-15-13(7-10)18-14(9-26-15)17(23-27-18)19(25)22-12-4-6-16(20-8-12)21-11(2)24/h3-8H,9H2,1-2H3,(H,22,25)(H,20,21,24)
InChIKeyNZLJXXCOLFQXHW-UHFFFAOYSA-N
XLogP3.15
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-methyl-N-(6-methyl-2-pyridinyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46273621
8-methyl-N-[3-(trifluoromethyl)phenyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46273627
N-[(2S)-butan-2-yl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 92686767
N-(1,3-benzodioxol-5-ylmethyl)-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46273683
N-pyridin-3-yl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46271796
N-(5-acetamido-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 166209984
(4-benzylpiperazin-1-yl)-(8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)methanone
CID 22551053
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-pyridinyl]-4-methylbenzamide
CID 113021649
3-[(6-acetamido-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid
CID 2813206
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methylbenzamide
CID 113036144
N-(furan-2-ylmethyl)-8-methyl-N-(3-methylbutyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 22551104
N-cyclopentyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 53003547

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-3-pyridinyl)-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The IUPAC name of N-(6-acetamido-3-pyridinyl)-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide (CID 46273744) is N-(6-acetamido-3-pyridinyl)-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for N-(6-acetamido-3-pyridinyl)-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The canonical SMILES for N-(6-acetamido-3-pyridinyl)-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide is CC(=O)Nc1ccc(NC(=O)c2noc3c2COc2ccc(C)cc2-3)cn1.
What is the InChIKey of N-(6-acetamido-3-pyridinyl)-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The InChIKey is NZLJXXCOLFQXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4/c1-10-3-5-15-13(7-10)18-14(9-26-15)17(23-27-18)19(25)22-12-4-6-16(20-8-12)21-11(2)24/h3-8H,9H2,1-2H3,(H,22,25)(H,20,21,24).
What are the key properties of N-(6-acetamido-3-pyridinyl)-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
N-(6-acetamido-3-pyridinyl)-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide has a molecular weight of 364.36 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-3-pyridinyl)-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 46273744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).