2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

C16H18N2O3 — CID 62703012

IUPAC2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCc1ccc(CN(C)c2nc3c(cc2C(=O)O)CCC3)o1
InChIInChI=1S/C16H18N2O3/c1-10-6-7-12(21-10)9-18(2)15-13(16(19)20)8-11-4-3-5-14(11)17-15/h6-8H,3-5,9H2,1-2H3,(H,19,20)
InChIKeyQVQOOHBXSGARLQ-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.81
Rot. Bonds4

About 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 62703012) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID62703012
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCc1ccc(CN(C)c2nc3c(cc2C(=O)O)CCC3)o1
InChIInChI=1S/C16H18N2O3/c1-10-6-7-12(21-10)9-18(2)15-13(16(19)20)8-11-4-3-5-14(11)17-15/h6-8H,3-5,9H2,1-2H3,(H,19,20)
InChIKeyQVQOOHBXSGARLQ-UHFFFAOYSA-N
XLogP2.81
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (CID 62703012) is 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is Cc1ccc(CN(C)c2nc3c(cc2C(=O)O)CCC3)o1.
What is the InChIKey of 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is QVQOOHBXSGARLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-6-7-12(21-10)9-18(2)15-13(16(19)20)8-11-4-3-5-14(11)17-15/h6-8H,3-5,9H2,1-2H3,(H,19,20).
What are the key properties of 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 62703012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).