N-[4-(3-anilino-4-oxo-1,7-dihydropyrano[3,4-b]pyrrol-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide

C22H17N5O4 — CID 129246485

IUPACN-[4-(3-anilino-4-oxo-1,7-dihydropyrano[3,4-b]pyrrol-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)COC3)ccn1)c1cnco1
InChIInChI=1S/C22H17N5O4/c28-16-11-30-10-15-19(16)21(25-14-4-2-1-3-5-14)20(26-15)13-6-7-24-18(8-13)27-22(29)17-9-23-12-31-17/h1-9,12,25-26H,10-11H2,(H,24,27,29)
InChIKeyASRWXECXMAIQBO-UHFFFAOYSA-N
MW415.41 g/mol
LogP3.77
Rot. Bonds5

About N-[4-(3-anilino-4-oxo-1,7-dihydropyrano[3,4-b]pyrrol-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide

N-[4-(3-anilino-4-oxo-1,7-dihydropyrano[3,4-b]pyrrol-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide (PubChem CID 129246485) has the molecular formula C22H17N5O4 and a molecular weight of 415.41 g/mol. Its IUPAC name is N-[4-(3-anilino-4-oxo-1,7-dihydropyrano[3,4-b]pyrrol-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(3-anilino-4-oxo-1,7-dihydropyrano[3,4-b]pyrrol-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide
PubChem CID129246485
Molecular FormulaC22H17N5O4
Molecular Weight415.41 g/mol
Exact Mass415.13
IUPAC NameN-[4-(3-anilino-4-oxo-1,7-dihydropyrano[3,4-b]pyrrol-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)COC3)ccn1)c1cnco1
InChIInChI=1S/C22H17N5O4/c28-16-11-30-10-15-19(16)21(25-14-4-2-1-3-5-14)20(26-15)13-6-7-24-18(8-13)27-22(29)17-9-23-12-31-17/h1-9,12,25-26H,10-11H2,(H,24,27,29)
InChIKeyASRWXECXMAIQBO-UHFFFAOYSA-N
XLogP3.77
TPSA122.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

cis-(1R,2R)-N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide
CID 118607079
N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]but-3-ynamide
CID 118606713
N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)-2-pyridinyl]-3-fluoro-4-methoxybenzamide
CID 129246548
N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-methylsulfanylacetamide
CID 118606753
(1S)-N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide
CID 129246764
1-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea
CID 118607242
N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-thiophen-3-ylacetamide
CID 118607305
N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(1H-pyrrol-3-yl)acetamide
CID 118607404
N-[4-(3-anilino-6-methyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-fluoro-2-methylpropanamide
CID 134582075
cis-(1S,2S)-N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide
CID 118613218
[4-[3-(3-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]carbamic acid
CID 118607107
N-[4-[3-anilino-6-(hydroxymethyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide;ethane;formaldehyde
CID 145208929

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-anilino-4-oxo-1,7-dihydropyrano[3,4-b]pyrrol-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[4-(3-anilino-4-oxo-1,7-dihydropyrano[3,4-b]pyrrol-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide (CID 129246485) is N-[4-(3-anilino-4-oxo-1,7-dihydropyrano[3,4-b]pyrrol-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-(3-anilino-4-oxo-1,7-dihydropyrano[3,4-b]pyrrol-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[4-(3-anilino-4-oxo-1,7-dihydropyrano[3,4-b]pyrrol-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide is O=C(Nc1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)COC3)ccn1)c1cnco1.
What is the InChIKey of N-[4-(3-anilino-4-oxo-1,7-dihydropyrano[3,4-b]pyrrol-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide?
The InChIKey is ASRWXECXMAIQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O4/c28-16-11-30-10-15-19(16)21(25-14-4-2-1-3-5-14)20(26-15)13-6-7-24-18(8-13)27-22(29)17-9-23-12-31-17/h1-9,12,25-26H,10-11H2,(H,24,27,29).
What are the key properties of N-[4-(3-anilino-4-oxo-1,7-dihydropyrano[3,4-b]pyrrol-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide?
N-[4-(3-anilino-4-oxo-1,7-dihydropyrano[3,4-b]pyrrol-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide has a molecular weight of 415.41 g/mol, XLogP of 3.77, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-anilino-4-oxo-1,7-dihydropyrano[3,4-b]pyrrol-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 129246485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).