(3aR,6S,7aR)-4-propan-2-yl-N-(2-pyridin-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide

C18H27N3O2 — CID 155874599

IUPAC(3aR,6S,7aR)-4-propan-2-yl-N-(2-pyridin-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
SMILESCC(C)N1C[C@@H](C(=O)NCCc2ccccn2)C[C@H]2OCC[C@H]21
InChIInChI=1S/C18H27N3O2/c1-13(2)21-12-14(11-17-16(21)7-10-23-17)18(22)20-9-6-15-5-3-4-8-19-15/h3-5,8,13-14,16-17H,6-7,9-12H2,1-2H3,(H,20,22)/t14-,16+,17+/m0/s1
InChIKeySZTRNCISZRPOPQ-USXIJHARSA-N
MW317.43 g/mol
LogP1.63
Rot. Bonds5

About (3aR,6S,7aR)-4-propan-2-yl-N-(2-pyridin-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide

(3aR,6S,7aR)-4-propan-2-yl-N-(2-pyridin-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (PubChem CID 155874599) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (3aR,6S,7aR)-4-propan-2-yl-N-(2-pyridin-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name(3aR,6S,7aR)-4-propan-2-yl-N-(2-pyridin-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
PubChem CID155874599
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(3aR,6S,7aR)-4-propan-2-yl-N-(2-pyridin-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
SMILESCC(C)N1C[C@@H](C(=O)NCCc2ccccn2)C[C@H]2OCC[C@H]21
InChIInChI=1S/C18H27N3O2/c1-13(2)21-12-14(11-17-16(21)7-10-23-17)18(22)20-9-6-15-5-3-4-8-19-15/h3-5,8,13-14,16-17H,6-7,9-12H2,1-2H3,(H,20,22)/t14-,16+,17+/m0/s1
InChIKeySZTRNCISZRPOPQ-USXIJHARSA-N
XLogP1.63
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

(3aR,6R,7aR)-4-methylsulfonyl-N-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 97387379
N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
CID 51073128
(3aR,6R,7aR)-N-(furan-2-ylmethyl)-4-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 97362955
4-hydroxy-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 112530288
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
cis-(1R,3S)-3-(2-pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 74235631
(1S)-3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 178156221
(3aR,6R,7aR)-4-(3,3-difluorocyclobutanecarbonyl)-N-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155869729
1-benzhydryl-N-(2-pyridin-2-ylethyl)azetidine-3-carboxamide
CID 71702513
3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;propane
CID 144736514
1-N,1-N-dimethyl-3-N-(2-pyridin-2-ylethyl)piperidine-1,3-dicarboxamide
CID 47028685
(3S)-1-cyclopentyl-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 94181168

Frequently Asked Questions

What is the IUPAC name of (3aR,6S,7aR)-4-propan-2-yl-N-(2-pyridin-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The IUPAC name of (3aR,6S,7aR)-4-propan-2-yl-N-(2-pyridin-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (CID 155874599) is (3aR,6S,7aR)-4-propan-2-yl-N-(2-pyridin-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for (3aR,6S,7aR)-4-propan-2-yl-N-(2-pyridin-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for (3aR,6S,7aR)-4-propan-2-yl-N-(2-pyridin-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide is CC(C)N1C[C@@H](C(=O)NCCc2ccccn2)C[C@H]2OCC[C@H]21.
What is the InChIKey of (3aR,6S,7aR)-4-propan-2-yl-N-(2-pyridin-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The InChIKey is SZTRNCISZRPOPQ-USXIJHARSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13(2)21-12-14(11-17-16(21)7-10-23-17)18(22)20-9-6-15-5-3-4-8-19-15/h3-5,8,13-14,16-17H,6-7,9-12H2,1-2H3,(H,20,22)/t14-,16+,17+/m0/s1.
What are the key properties of (3aR,6S,7aR)-4-propan-2-yl-N-(2-pyridin-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
(3aR,6S,7aR)-4-propan-2-yl-N-(2-pyridin-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S,7aR)-4-propan-2-yl-N-(2-pyridin-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 155874599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).