(2R,3aS,6aS)-4-[(5-methylfuran-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide

C19H29N3O3 — CID 97458536

IUPAC(2R,3aS,6aS)-4-[(5-methylfuran-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide
SMILESCc1ccc(CN2CC[C@@H]3O[C@@H](C(=O)NCCN4CCCC4)C[C@@H]32)o1
InChIInChI=1S/C19H29N3O3/c1-14-4-5-15(24-14)13-22-10-6-17-16(22)12-18(25-17)19(23)20-7-11-21-8-2-3-9-21/h4-5,16-18H,2-3,6-13H2,1H3,(H,20,23)/t16-,17-,18+/m0/s1
InChIKeyUATUKDMVWPAUQS-OKZBNKHCSA-N
MW347.46 g/mol
LogP1.53
Rot. Bonds6

About (2R,3aS,6aS)-4-[(5-methylfuran-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide

(2R,3aS,6aS)-4-[(5-methylfuran-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide (PubChem CID 97458536) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is (2R,3aS,6aS)-4-[(5-methylfuran-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(2R,3aS,6aS)-4-[(5-methylfuran-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide
PubChem CID97458536
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name(2R,3aS,6aS)-4-[(5-methylfuran-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide
SMILESCc1ccc(CN2CC[C@@H]3O[C@@H](C(=O)NCCN4CCCC4)C[C@@H]32)o1
InChIInChI=1S/C19H29N3O3/c1-14-4-5-15(24-14)13-22-10-6-17-16(22)12-18(25-17)19(23)20-7-11-21-8-2-3-9-21/h4-5,16-18H,2-3,6-13H2,1H3,(H,20,23)/t16-,17-,18+/m0/s1
InChIKeyUATUKDMVWPAUQS-OKZBNKHCSA-N
XLogP1.53
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3aR,6aR)-N-(2-methoxyethyl)-4-[(5-methylfuran-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155829873
(3aR,5S,7aR)-N-(cyclopropylmethyl)-1-[(5-methylfuran-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 97380027
(2S,3aR,6aR)-4-[(5-methylfuran-2-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155829090
(2R,3aS,6aS)-4-[(5-methylfuran-2-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 171685842
(3aS,5R,7aS)-1-[(5-methylfuran-2-yl)methyl]-N-pyridin-3-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 124813078
(2S)-1-[(5-methylfuran-2-yl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 95739472
(2S,3aR,7aR)-6-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 124783218
(2S,3aR,6aR)-N-[2-(dimethylamino)ethyl]-4-(thiophen-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide
CID 124804615
(2S,3aR,6aR)-N-(2-methoxyethyl)-4-(thiophen-3-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide
CID 124788949
(3aS,5S,7aS)-5-(methoxymethyl)-1-[(5-methylfuran-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 124811956
(3aR,6aS)-N-cyclopentyl-1-[(5-methylfuran-2-yl)methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide
CID 97459261
methyl 1-[(5-methylfuran-2-yl)methyl]azetidine-2-carboxylate
CID 112581410

Frequently Asked Questions

What is the IUPAC name of (2R,3aS,6aS)-4-[(5-methylfuran-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide?
The IUPAC name of (2R,3aS,6aS)-4-[(5-methylfuran-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide (CID 97458536) is (2R,3aS,6aS)-4-[(5-methylfuran-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide.
What is the SMILES notation for (2R,3aS,6aS)-4-[(5-methylfuran-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide?
The canonical SMILES for (2R,3aS,6aS)-4-[(5-methylfuran-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide is Cc1ccc(CN2CC[C@@H]3O[C@@H](C(=O)NCCN4CCCC4)C[C@@H]32)o1.
What is the InChIKey of (2R,3aS,6aS)-4-[(5-methylfuran-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide?
The InChIKey is UATUKDMVWPAUQS-OKZBNKHCSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14-4-5-15(24-14)13-22-10-6-17-16(22)12-18(25-17)19(23)20-7-11-21-8-2-3-9-21/h4-5,16-18H,2-3,6-13H2,1H3,(H,20,23)/t16-,17-,18+/m0/s1.
What are the key properties of (2R,3aS,6aS)-4-[(5-methylfuran-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide?
(2R,3aS,6aS)-4-[(5-methylfuran-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aS,6aS)-4-[(5-methylfuran-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide is sourced from PubChem (CID 97458536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).