(2R,3aS,7aR)-N-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

C20H29N3O3 — CID 97366929

IUPAC(2R,3aS,7aR)-N-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CCOCC1)[C@H]1C[C@@H]2CCN(Cc3ccncc3)C[C@@H]2O1
InChIInChI=1S/C20H29N3O3/c24-20(22-12-15-4-9-25-10-5-15)18-11-17-3-8-23(14-19(17)26-18)13-16-1-6-21-7-2-16/h1-2,6-7,15,17-19H,3-5,8-14H2,(H,22,24)/t17-,18+,19-/m0/s1
InChIKeyKBRGCXUNSWWPBW-OTWHNJEPSA-N
MW359.47 g/mol
LogP1.60
Rot. Bonds5

About (2R,3aS,7aR)-N-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

(2R,3aS,7aR)-N-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (PubChem CID 97366929) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is (2R,3aS,7aR)-N-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name(2R,3aS,7aR)-N-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
PubChem CID97366929
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name(2R,3aS,7aR)-N-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CCOCC1)[C@H]1C[C@@H]2CCN(Cc3ccncc3)C[C@@H]2O1
InChIInChI=1S/C20H29N3O3/c24-20(22-12-15-4-9-25-10-5-15)18-11-17-3-8-23(14-19(17)26-18)13-16-1-6-21-7-2-16/h1-2,6-7,15,17-19H,3-5,8-14H2,(H,22,24)/t17-,18+,19-/m0/s1
InChIKeyKBRGCXUNSWWPBW-OTWHNJEPSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,3aS,7aR)-N-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide with MolForge

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Related Compounds

N-([6-[2-(4-methyloxan-4-yl)acetyl]-6-azaspiro[2.5]octan-1-yl]methyl)-1H,2H,3H-pyrrolo[3,4-c]pyridine-2-carboxamide
CID 71711804
N-[[6-[2-(oxan-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 118621411
N-[4-[1-(oxolane-2-carbonyl)piperidin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 57510495
N-[4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 57510860
N-[4-[1-[2-(oxolan-3-yl)acetyl]piperidin-4-yl]butyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 57510932
N-[4-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]butyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 57510936
N-[4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]butyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 57510937
N-[4-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]butyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 57510940
N-[4-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 57510963
(4aR,7aS)-6-(oxan-4-yl)-4-(pyridin-4-ylmethyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 56775025
(3aR,7aR)-N-(2-methoxyethyl)-5-(pyridin-4-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 97362717
2-[(3aR,7S,7aS)-2-(pyridin-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-(cyclopropylmethyl)acetamide
CID 97364720

Frequently Asked Questions

What is the IUPAC name of (2R,3aS,7aR)-N-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of (2R,3aS,7aR)-N-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (CID 97366929) is (2R,3aS,7aR)-N-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for (2R,3aS,7aR)-N-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for (2R,3aS,7aR)-N-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is O=C(NCC1CCOCC1)[C@H]1C[C@@H]2CCN(Cc3ccncc3)C[C@@H]2O1.
What is the InChIKey of (2R,3aS,7aR)-N-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is KBRGCXUNSWWPBW-OTWHNJEPSA-N. The full InChI is InChI=1S/C20H29N3O3/c24-20(22-12-15-4-9-25-10-5-15)18-11-17-3-8-23(14-19(17)26-18)13-16-1-6-21-7-2-16/h1-2,6-7,15,17-19H,3-5,8-14H2,(H,22,24)/t17-,18+,19-/m0/s1.
What are the key properties of (2R,3aS,7aR)-N-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
(2R,3aS,7aR)-N-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aS,7aR)-N-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 97366929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).