(3aR,6S,6aR)-4-[(3-methyl-2-pyridinyl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide

C20H29N3O3 — CID 98895484

IUPAC(3aR,6S,6aR)-4-[(3-methyl-2-pyridinyl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
SMILESCc1cccnc1CN1C[C@H](C(=O)NCC2CCOCC2)[C@H]2OCC[C@H]21
InChIInChI=1S/C20H29N3O3/c1-14-3-2-7-21-17(14)13-23-12-16(19-18(23)6-10-26-19)20(24)22-11-15-4-8-25-9-5-15/h2-3,7,15-16,18-19H,4-6,8-13H2,1H3,(H,22,24)/t16-,18+,19+/m0/s1
InChIKeyBNAKHNCHXJWFRQ-QXAKKESOSA-N
MW359.47 g/mol
LogP1.52
Rot. Bonds5

About (3aR,6S,6aR)-4-[(3-methyl-2-pyridinyl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide

(3aR,6S,6aR)-4-[(3-methyl-2-pyridinyl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide (PubChem CID 98895484) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is (3aR,6S,6aR)-4-[(3-methyl-2-pyridinyl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide.

Molecular Properties

Compound Name(3aR,6S,6aR)-4-[(3-methyl-2-pyridinyl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
PubChem CID98895484
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name(3aR,6S,6aR)-4-[(3-methyl-2-pyridinyl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
SMILESCc1cccnc1CN1C[C@H](C(=O)NCC2CCOCC2)[C@H]2OCC[C@H]21
InChIInChI=1S/C20H29N3O3/c1-14-3-2-7-21-17(14)13-23-12-16(19-18(23)6-10-26-19)20(24)22-11-15-4-8-25-9-5-15/h2-3,7,15-16,18-19H,4-6,8-13H2,1H3,(H,22,24)/t16-,18+,19+/m0/s1
InChIKeyBNAKHNCHXJWFRQ-QXAKKESOSA-N
XLogP1.52
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aR,6S,6aR)-4-[(3-methyl-2-pyridinyl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide with MolForge

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Related Compounds

(3aR,6S,6aR)-4-[(3-methylimidazol-4-yl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
CID 98896897
(3aR,6S,6aR)-4-[(2-methylpyrimidin-5-yl)methyl]-N-(thiophen-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155826122
(3aR,6S,6aR)-N-methyl-4-[(5-methylthiophen-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
CID 98895085
ethane;3-methyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
CID 169269117
N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 110252079
2-cyclopropyl-N-[(3-methyl-2-pyridinyl)methyl]oxolan-3-amine
CID 113384129
1-[(3-methyl-2-pyridinyl)methyl]-4-[[(3S)-oxolan-3-yl]methyl]piperazine
CID 95708715
2-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 64822512
(3R)-N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 96557148
3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 107072167
trans-(1R,2R)-N-[(3-methyl-2-pyridinyl)methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 96526858
4-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide
CID 66257562

Frequently Asked Questions

What is the IUPAC name of (3aR,6S,6aR)-4-[(3-methyl-2-pyridinyl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
The IUPAC name of (3aR,6S,6aR)-4-[(3-methyl-2-pyridinyl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide (CID 98895484) is (3aR,6S,6aR)-4-[(3-methyl-2-pyridinyl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide.
What is the SMILES notation for (3aR,6S,6aR)-4-[(3-methyl-2-pyridinyl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
The canonical SMILES for (3aR,6S,6aR)-4-[(3-methyl-2-pyridinyl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide is Cc1cccnc1CN1C[C@H](C(=O)NCC2CCOCC2)[C@H]2OCC[C@H]21.
What is the InChIKey of (3aR,6S,6aR)-4-[(3-methyl-2-pyridinyl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
The InChIKey is BNAKHNCHXJWFRQ-QXAKKESOSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-14-3-2-7-21-17(14)13-23-12-16(19-18(23)6-10-26-19)20(24)22-11-15-4-8-25-9-5-15/h2-3,7,15-16,18-19H,4-6,8-13H2,1H3,(H,22,24)/t16-,18+,19+/m0/s1.
What are the key properties of (3aR,6S,6aR)-4-[(3-methyl-2-pyridinyl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
(3aR,6S,6aR)-4-[(3-methyl-2-pyridinyl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S,6aR)-4-[(3-methyl-2-pyridinyl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide is sourced from PubChem (CID 98895484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).