5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-1H-pyrrole-2-carboxylic acid

C14H13N3O4 — CID 144569932

IUPAC5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)NC2CCOc3cccnc32)[nH]1
InChIInChI=1S/C14H13N3O4/c18-13(9-3-4-10(16-9)14(19)20)17-8-5-7-21-11-2-1-6-15-12(8)11/h1-4,6,8,16H,5,7H2,(H,17,18)(H,19,20)
InChIKeyYIIMWDPNMWLNGC-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.36
Rot. Bonds3

About 5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-1H-pyrrole-2-carboxylic acid

5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 144569932) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-1H-pyrrole-2-carboxylic acid
PubChem CID144569932
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)NC2CCOc3cccnc32)[nH]1
InChIInChI=1S/C14H13N3O4/c18-13(9-3-4-10(16-9)14(19)20)17-8-5-7-21-11-2-1-6-15-12(8)11/h1-4,6,8,16H,5,7H2,(H,17,18)(H,19,20)
InChIKeyYIIMWDPNMWLNGC-UHFFFAOYSA-N
XLogP1.36
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-1H-pyrrole-2-carboxylic acid with MolForge

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Related Compounds

6-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)pyridine-3-carboxylic acid
CID 144569763
N-[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-4-methylbenzamide
CID 144570152
(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;N-[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]acetamide
CID 161064892
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)quinoxaline-2-carboxamide
CID 144569816
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-3-methylbutanamide
CID 176873000
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-fluorobenzamide;5-phenylpyrimidine
CID 144570129
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 144570089
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-1-methylbenzimidazole-2-carboxamide
CID 144570162
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-5-(methanesulfinamido)pyridine-2-carboxamide
CID 144570083
3-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-4-methoxycyclohexane-1-carboxylic acid
CID 123480598
4-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylamino)butylcarbamic acid
CID 154115939
ethyl 5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-1H-imidazole-2-carboxylate;1-fluoro-2-(trifluoromethoxy)benzene
CID 144570078

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-1H-pyrrole-2-carboxylic acid (CID 144569932) is 5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-1H-pyrrole-2-carboxylic acid is O=C(O)c1ccc(C(=O)NC2CCOc3cccnc32)[nH]1.
What is the InChIKey of 5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is YIIMWDPNMWLNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c18-13(9-3-4-10(16-9)14(19)20)17-8-5-7-21-11-2-1-6-15-12(8)11/h1-4,6,8,16H,5,7H2,(H,17,18)(H,19,20).
What are the key properties of 5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-1H-pyrrole-2-carboxylic acid?
5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 287.28 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 144569932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).