(3aR,6S,7aR)-N-(cyclopropylmethyl)-4-(2-phenylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide

C20H28N2O2 — CID 97365065

IUPAC(3aR,6S,7aR)-N-(cyclopropylmethyl)-4-(2-phenylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
SMILESO=C(NCC1CC1)[C@H]1C[C@H]2OCC[C@H]2N(CCc2ccccc2)C1
InChIInChI=1S/C20H28N2O2/c23-20(21-13-16-6-7-16)17-12-19-18(9-11-24-19)22(14-17)10-8-15-4-2-1-3-5-15/h1-5,16-19H,6-14H2,(H,21,23)/t17-,18+,19+/m0/s1
InChIKeyHTCWSTHFFKPNRZ-IPMKNSEASA-N
MW328.46 g/mol
LogP2.23
Rot. Bonds6

About (3aR,6S,7aR)-N-(cyclopropylmethyl)-4-(2-phenylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide

(3aR,6S,7aR)-N-(cyclopropylmethyl)-4-(2-phenylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (PubChem CID 97365065) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (3aR,6S,7aR)-N-(cyclopropylmethyl)-4-(2-phenylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name(3aR,6S,7aR)-N-(cyclopropylmethyl)-4-(2-phenylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
PubChem CID97365065
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name(3aR,6S,7aR)-N-(cyclopropylmethyl)-4-(2-phenylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
SMILESO=C(NCC1CC1)[C@H]1C[C@H]2OCC[C@H]2N(CCc2ccccc2)C1
InChIInChI=1S/C20H28N2O2/c23-20(21-13-16-6-7-16)17-12-19-18(9-11-24-19)22(14-17)10-8-15-4-2-1-3-5-15/h1-5,16-19H,6-14H2,(H,21,23)/t17-,18+,19+/m0/s1
InChIKeyHTCWSTHFFKPNRZ-IPMKNSEASA-N
XLogP2.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aR,6S,7aR)-N-(cyclopropylmethyl)-4-(2-phenylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,6S,7aR)-N-(cyclopropylmethyl)-4-(2-phenylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The IUPAC name of (3aR,6S,7aR)-N-(cyclopropylmethyl)-4-(2-phenylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (CID 97365065) is (3aR,6S,7aR)-N-(cyclopropylmethyl)-4-(2-phenylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for (3aR,6S,7aR)-N-(cyclopropylmethyl)-4-(2-phenylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for (3aR,6S,7aR)-N-(cyclopropylmethyl)-4-(2-phenylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide is O=C(NCC1CC1)[C@H]1C[C@H]2OCC[C@H]2N(CCc2ccccc2)C1.
What is the InChIKey of (3aR,6S,7aR)-N-(cyclopropylmethyl)-4-(2-phenylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The InChIKey is HTCWSTHFFKPNRZ-IPMKNSEASA-N. The full InChI is InChI=1S/C20H28N2O2/c23-20(21-13-16-6-7-16)17-12-19-18(9-11-24-19)22(14-17)10-8-15-4-2-1-3-5-15/h1-5,16-19H,6-14H2,(H,21,23)/t17-,18+,19+/m0/s1.
What are the key properties of (3aR,6S,7aR)-N-(cyclopropylmethyl)-4-(2-phenylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
(3aR,6S,7aR)-N-(cyclopropylmethyl)-4-(2-phenylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S,7aR)-N-(cyclopropylmethyl)-4-(2-phenylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 97365065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).