(2S,3aS,7aS)-6-benzyl-N-(cyclopropylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

C19H26N2O2 — CID 97366638

IUPAC(2S,3aS,7aS)-6-benzyl-N-(cyclopropylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC1)[C@@H]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2O1
InChIInChI=1S/C19H26N2O2/c22-19(20-11-14-6-7-14)17-10-16-8-9-21(13-18(16)23-17)12-15-4-2-1-3-5-15/h1-5,14,16-18H,6-13H2,(H,20,22)/t16-,17-,18+/m0/s1
InChIKeyIRTWMMXXPWDVEM-OKZBNKHCSA-N
MW314.43 g/mol
LogP2.19
Rot. Bonds5

About (2S,3aS,7aS)-6-benzyl-N-(cyclopropylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

(2S,3aS,7aS)-6-benzyl-N-(cyclopropylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (PubChem CID 97366638) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (2S,3aS,7aS)-6-benzyl-N-(cyclopropylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name(2S,3aS,7aS)-6-benzyl-N-(cyclopropylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
PubChem CID97366638
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(2S,3aS,7aS)-6-benzyl-N-(cyclopropylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC1)[C@@H]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2O1
InChIInChI=1S/C19H26N2O2/c22-19(20-11-14-6-7-14)17-10-16-8-9-21(13-18(16)23-17)12-15-4-2-1-3-5-15/h1-5,14,16-18H,6-13H2,(H,20,22)/t16-,17-,18+/m0/s1
InChIKeyIRTWMMXXPWDVEM-OKZBNKHCSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3aS,7aS)-6-benzyl-N-(cyclopropylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of (2S,3aS,7aS)-6-benzyl-N-(cyclopropylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (CID 97366638) is (2S,3aS,7aS)-6-benzyl-N-(cyclopropylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for (2S,3aS,7aS)-6-benzyl-N-(cyclopropylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for (2S,3aS,7aS)-6-benzyl-N-(cyclopropylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is O=C(NCC1CC1)[C@@H]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2O1.
What is the InChIKey of (2S,3aS,7aS)-6-benzyl-N-(cyclopropylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is IRTWMMXXPWDVEM-OKZBNKHCSA-N. The full InChI is InChI=1S/C19H26N2O2/c22-19(20-11-14-6-7-14)17-10-16-8-9-21(13-18(16)23-17)12-15-4-2-1-3-5-15/h1-5,14,16-18H,6-13H2,(H,20,22)/t16-,17-,18+/m0/s1.
What are the key properties of (2S,3aS,7aS)-6-benzyl-N-(cyclopropylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
(2S,3aS,7aS)-6-benzyl-N-(cyclopropylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS,7aS)-6-benzyl-N-(cyclopropylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 97366638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).