N-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;formic acid

C19H20N4O5 — CID 163341533

IUPACN-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;formic acid
SMILESCOc1nc2c(cc1C(=O)Nc1nc(C)c3cc(C)oc3n1)CCC2.O=CO
InChIInChI=1S/C18H18N4O3.CH2O2/c1-9-7-12-10(2)19-18(22-17(12)25-9)21-15(23)13-8-11-5-4-6-14(11)20-16(13)24-3;2-1-3/h7-8H,4-6H2,1-3H3,(H,19,21,22,23);1H,(H,2,3)
InChIKeyNOQWGVNUTADUOU-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.69
Rot. Bonds3

About N-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;formic acid

N-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;formic acid (PubChem CID 163341533) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is N-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;formic acid.

Molecular Properties

Compound NameN-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;formic acid
PubChem CID163341533
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC NameN-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;formic acid
SMILESCOc1nc2c(cc1C(=O)Nc1nc(C)c3cc(C)oc3n1)CCC2.O=CO
InChIInChI=1S/C18H18N4O3.CH2O2/c1-9-7-12-10(2)19-18(22-17(12)25-9)21-15(23)13-8-11-5-4-6-14(11)20-16(13)24-3;2-1-3/h7-8H,4-6H2,1-3H3,(H,19,21,22,23);1H,(H,2,3)
InChIKeyNOQWGVNUTADUOU-UHFFFAOYSA-N
XLogP2.69
TPSA127.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;formic acid?
The IUPAC name of N-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;formic acid (CID 163341533) is N-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;formic acid.
What is the SMILES notation for N-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;formic acid?
The canonical SMILES for N-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;formic acid is COc1nc2c(cc1C(=O)Nc1nc(C)c3cc(C)oc3n1)CCC2.O=CO.
What is the InChIKey of N-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;formic acid?
The InChIKey is NOQWGVNUTADUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3.CH2O2/c1-9-7-12-10(2)19-18(22-17(12)25-9)21-15(23)13-8-11-5-4-6-14(11)20-16(13)24-3;2-1-3/h7-8H,4-6H2,1-3H3,(H,19,21,22,23);1H,(H,2,3).
What are the key properties of N-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;formic acid?
N-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;formic acid has a molecular weight of 384.39 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;formic acid is sourced from PubChem (CID 163341533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).