(3aS,4R,7aS)-N-cyclopropyl-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide

C16H22N4O3 — CID 97365027

IUPAC(3aS,4R,7aS)-N-cyclopropyl-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
SMILESCOc1cc(N2C[C@H](C(=O)NC3CC3)[C@@H]3CCO[C@@H]3C2)ncn1
InChIInChI=1S/C16H22N4O3/c1-22-15-6-14(17-9-18-15)20-7-12(16(21)19-10-2-3-10)11-4-5-23-13(11)8-20/h6,9-13H,2-5,7-8H2,1H3,(H,19,21)/t11-,12-,13+/m0/s1
InChIKeyRWYFHZWCMUISQZ-RWMBFGLXSA-N
MW318.38 g/mol
LogP0.61
Rot. Bonds4

About (3aS,4R,7aS)-N-cyclopropyl-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide

(3aS,4R,7aS)-N-cyclopropyl-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide (PubChem CID 97365027) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is (3aS,4R,7aS)-N-cyclopropyl-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name(3aS,4R,7aS)-N-cyclopropyl-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
PubChem CID97365027
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name(3aS,4R,7aS)-N-cyclopropyl-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
SMILESCOc1cc(N2C[C@H](C(=O)NC3CC3)[C@@H]3CCO[C@@H]3C2)ncn1
InChIInChI=1S/C16H22N4O3/c1-22-15-6-14(17-9-18-15)20-7-12(16(21)19-10-2-3-10)11-4-5-23-13(11)8-20/h6,9-13H,2-5,7-8H2,1H3,(H,19,21)/t11-,12-,13+/m0/s1
InChIKeyRWYFHZWCMUISQZ-RWMBFGLXSA-N
XLogP0.61
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3aS,4R,7aS)-N-cyclopropyl-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aS,4R,7aS)-N-cyclopropyl-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of (3aS,4R,7aS)-N-cyclopropyl-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide (CID 97365027) is (3aS,4R,7aS)-N-cyclopropyl-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for (3aS,4R,7aS)-N-cyclopropyl-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for (3aS,4R,7aS)-N-cyclopropyl-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide is COc1cc(N2C[C@H](C(=O)NC3CC3)[C@@H]3CCO[C@@H]3C2)ncn1.
What is the InChIKey of (3aS,4R,7aS)-N-cyclopropyl-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide?
The InChIKey is RWYFHZWCMUISQZ-RWMBFGLXSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-22-15-6-14(17-9-18-15)20-7-12(16(21)19-10-2-3-10)11-4-5-23-13(11)8-20/h6,9-13H,2-5,7-8H2,1H3,(H,19,21)/t11-,12-,13+/m0/s1.
What are the key properties of (3aS,4R,7aS)-N-cyclopropyl-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide?
(3aS,4R,7aS)-N-cyclopropyl-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4R,7aS)-N-cyclopropyl-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 97365027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).