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

C18H24N2O4 — CID 155871829

IUPAC(3aS,4R,7aS)-N-(cyclopropylmethyl)-6-(5-methylfuran-2-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
SMILESCc1ccc(C(=O)N2C[C@H](C(=O)NCC3CC3)[C@@H]3CCO[C@@H]3C2)o1
InChIInChI=1S/C18H24N2O4/c1-11-2-5-15(24-11)18(22)20-9-14(13-6-7-23-16(13)10-20)17(21)19-8-12-3-4-12/h2,5,12-14,16H,3-4,6-10H2,1H3,(H,19,21)/t13-,14-,16+/m0/s1
InChIKeyRZHCFWCEHQPTLE-OFQRWUPVSA-N
MW332.40 g/mol
LogP1.59
Rot. Bonds4

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

(3aS,4R,7aS)-N-(cyclopropylmethyl)-6-(5-methylfuran-2-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide (PubChem CID 155871829) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is (3aS,4R,7aS)-N-(cyclopropylmethyl)-6-(5-methylfuran-2-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name(3aS,4R,7aS)-N-(cyclopropylmethyl)-6-(5-methylfuran-2-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
PubChem CID155871829
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name(3aS,4R,7aS)-N-(cyclopropylmethyl)-6-(5-methylfuran-2-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
SMILESCc1ccc(C(=O)N2C[C@H](C(=O)NCC3CC3)[C@@H]3CCO[C@@H]3C2)o1
InChIInChI=1S/C18H24N2O4/c1-11-2-5-15(24-11)18(22)20-9-14(13-6-7-23-16(13)10-20)17(21)19-8-12-3-4-12/h2,5,12-14,16H,3-4,6-10H2,1H3,(H,19,21)/t13-,14-,16+/m0/s1
InChIKeyRZHCFWCEHQPTLE-OFQRWUPVSA-N
XLogP1.59
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

(3aS,4R,7aS)-N-(cyclopropylmethyl)-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 97387958
[(3R,3aR,6aR)-3-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methylfuran-2-yl)methanone
CID 124799707
(3aR,4S,7aR)-N-(cyclopropylmethyl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 124781316
(3aS,4S,7aS)-N-(cyclopropylmethyl)-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155863180
[3-(bromomethyl)azetidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 130531455
2-[1-(5-methylfuran-2-carbonyl)azetidin-3-yl]acetic acid
CID 64605801
(3aS,4R,7aS)-N-(cyclopropylmethyl)-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 127022239
N-(cyclopropylmethyl)-3-imidazol-1-yl-1-(5-methylfuran-2-carbonyl)piperidine-3-carboxamide
CID 155871687
(4R,4aR,8aR)-N-(cyclopropylmethyl)-6-[(5-methylthiophen-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 97380947
[3-(methylamino)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 81466961
(4R,4aR,8aR)-N-(cyclopropylmethyl)-6-(pyridin-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 97380950
(3-methoxypyrrolidin-1-yl)-(5-methylfuran-2-yl)methanone
CID 108730619

Frequently Asked Questions

What is the IUPAC name of (3aS,4R,7aS)-N-(cyclopropylmethyl)-6-(5-methylfuran-2-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of (3aS,4R,7aS)-N-(cyclopropylmethyl)-6-(5-methylfuran-2-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide (CID 155871829) is (3aS,4R,7aS)-N-(cyclopropylmethyl)-6-(5-methylfuran-2-carbonyl)-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-(cyclopropylmethyl)-6-(5-methylfuran-2-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for (3aS,4R,7aS)-N-(cyclopropylmethyl)-6-(5-methylfuran-2-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide is Cc1ccc(C(=O)N2C[C@H](C(=O)NCC3CC3)[C@@H]3CCO[C@@H]3C2)o1.
What is the InChIKey of (3aS,4R,7aS)-N-(cyclopropylmethyl)-6-(5-methylfuran-2-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide?
The InChIKey is RZHCFWCEHQPTLE-OFQRWUPVSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-11-2-5-15(24-11)18(22)20-9-14(13-6-7-23-16(13)10-20)17(21)19-8-12-3-4-12/h2,5,12-14,16H,3-4,6-10H2,1H3,(H,19,21)/t13-,14-,16+/m0/s1.
What are the key properties of (3aS,4R,7aS)-N-(cyclopropylmethyl)-6-(5-methylfuran-2-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide?
(3aS,4R,7aS)-N-(cyclopropylmethyl)-6-(5-methylfuran-2-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4R,7aS)-N-(cyclopropylmethyl)-6-(5-methylfuran-2-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 155871829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).