3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxo-1H-pyrrolo[3,2-b]pyridine-6-carboxamide

C16H17N3O3 — CID 142502452

IUPAC3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxo-1H-pyrrolo[3,2-b]pyridine-6-carboxamide
SMILESCc1ccc(CNC(=O)c2cnc3c(c2)NC(=O)C3(C)C)o1
InChIInChI=1S/C16H17N3O3/c1-9-4-5-11(22-9)8-18-14(20)10-6-12-13(17-7-10)16(2,3)15(21)19-12/h4-7H,8H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyKIOBICYKXNGRAT-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.14
Rot. Bonds3

About 3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxo-1H-pyrrolo[3,2-b]pyridine-6-carboxamide

3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxo-1H-pyrrolo[3,2-b]pyridine-6-carboxamide (PubChem CID 142502452) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxo-1H-pyrrolo[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxo-1H-pyrrolo[3,2-b]pyridine-6-carboxamide
PubChem CID142502452
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxo-1H-pyrrolo[3,2-b]pyridine-6-carboxamide
SMILESCc1ccc(CNC(=O)c2cnc3c(c2)NC(=O)C3(C)C)o1
InChIInChI=1S/C16H17N3O3/c1-9-4-5-11(22-9)8-18-14(20)10-6-12-13(17-7-10)16(2,3)15(21)19-12/h4-7H,8H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyKIOBICYKXNGRAT-UHFFFAOYSA-N
XLogP2.14
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxo-1H-pyrrolo[3,2-b]pyridine-6-carboxamide with MolForge

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Related Compounds

5-hydroxy-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
CID 55256173
6-(methylamino)-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
CID 62523594
N-[(5-methylfuran-2-yl)methyl]-3-oxo-4H-pyrano[2,3-b]pyridine-6-carboxamide
CID 162123878
3,4-dichloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731633
N-[(5-methylfuran-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 102712317
2-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide
CID 115115877
4-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731652
5-carbamothioyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 63749387
5-amino-2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
CID 114045976
4-fluoro-3-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 63213507
3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731628
N-(furan-2-ylmethyl)-7,7-dimethyl-6-oxo-5H-cyclopenta[b]pyridine-3-carboxamide
CID 159362308

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxo-1H-pyrrolo[3,2-b]pyridine-6-carboxamide?
The IUPAC name of 3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxo-1H-pyrrolo[3,2-b]pyridine-6-carboxamide (CID 142502452) is 3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxo-1H-pyrrolo[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for 3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxo-1H-pyrrolo[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for 3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxo-1H-pyrrolo[3,2-b]pyridine-6-carboxamide is Cc1ccc(CNC(=O)c2cnc3c(c2)NC(=O)C3(C)C)o1.
What is the InChIKey of 3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxo-1H-pyrrolo[3,2-b]pyridine-6-carboxamide?
The InChIKey is KIOBICYKXNGRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-9-4-5-11(22-9)8-18-14(20)10-6-12-13(17-7-10)16(2,3)15(21)19-12/h4-7H,8H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxo-1H-pyrrolo[3,2-b]pyridine-6-carboxamide?
3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxo-1H-pyrrolo[3,2-b]pyridine-6-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxo-1H-pyrrolo[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 142502452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).