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

C18H18N4O3 — CID 157018115

IUPACN-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCOc1nc2c(cc1C(=O)Nc1nc(C)c3cc(C)oc3n1)CCC2
InChIInChI=1S/C18H18N4O3/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/h7-8H,4-6H2,1-3H3,(H,19,21,22,23)
InChIKeyUAJSFESSFWHSOE-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.98
Rot. Bonds3

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

N-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 157018115) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 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.

Molecular Properties

Compound NameN-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID157018115
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCOc1nc2c(cc1C(=O)Nc1nc(C)c3cc(C)oc3n1)CCC2
InChIInChI=1S/C18H18N4O3/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/h7-8H,4-6H2,1-3H3,(H,19,21,22,23)
InChIKeyUAJSFESSFWHSOE-UHFFFAOYSA-N
XLogP2.98
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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?
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 (CID 157018115) is N-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.
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?
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 is COc1nc2c(cc1C(=O)Nc1nc(C)c3cc(C)oc3n1)CCC2.
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?
The InChIKey is UAJSFESSFWHSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/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/h7-8H,4-6H2,1-3H3,(H,19,21,22,23).
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?
N-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 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 is sourced from PubChem (CID 157018115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).