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

C17H23N3O2 — CID 97380448

IUPAC(3aR,6S,7aR)-4-(cyclopropylmethyl)-N-pyridin-3-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
SMILESO=C(Nc1cccnc1)[C@H]1C[C@H]2OCC[C@H]2N(CC2CC2)C1
InChIInChI=1S/C17H23N3O2/c21-17(19-14-2-1-6-18-9-14)13-8-16-15(5-7-22-16)20(11-13)10-12-3-4-12/h1-2,6,9,12-13,15-16H,3-5,7-8,10-11H2,(H,19,21)/t13-,15+,16+/m0/s1
InChIKeyRWLVFDQCBGDWEJ-NUEKZKHPSA-N
MW301.39 g/mol
LogP1.91
Rot. Bonds4

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

(3aR,6S,7aR)-4-(cyclopropylmethyl)-N-pyridin-3-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (PubChem CID 97380448) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (3aR,6S,7aR)-4-(cyclopropylmethyl)-N-pyridin-3-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name(3aR,6S,7aR)-4-(cyclopropylmethyl)-N-pyridin-3-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
PubChem CID97380448
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(3aR,6S,7aR)-4-(cyclopropylmethyl)-N-pyridin-3-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
SMILESO=C(Nc1cccnc1)[C@H]1C[C@H]2OCC[C@H]2N(CC2CC2)C1
InChIInChI=1S/C17H23N3O2/c21-17(19-14-2-1-6-18-9-14)13-8-16-15(5-7-22-16)20(11-13)10-12-3-4-12/h1-2,6,9,12-13,15-16H,3-5,7-8,10-11H2,(H,19,21)/t13-,15+,16+/m0/s1
InChIKeyRWLVFDQCBGDWEJ-NUEKZKHPSA-N
XLogP1.91
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

(3aR,6S,7aR)-N-pyridin-3-yl-4-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;tris(2,2,2-trifluoroacetic acid)
CID 155837298
(3aR,6S,7aR)-4-(3-chlorobenzoyl)-N-pyridin-3-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 155872740
(3aR,6S,7aR)-4-(cyclopropylmethyl)-N-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 97365132
(3aR,6S,7aR)-N-methyl-4-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
CID 171696944
(3aR,6S,7aR)-4-acetyl-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 155876280
4-hydroxy-N-pyridin-3-ylcyclohexane-1-carboxamide
CID 112524091
(3aS,6R,7aS)-N-pyrazin-2-yl-4-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 124781486
[(3aR,6S,7aR)-4-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97380401
(3S,4aS,8aR)-6-acetyl-N-pyridin-3-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
CID 155876548
(3aR,6S,7aR)-N-pyrazin-2-yl-4-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155827427
(4aR,6S,7aR)-N-(cyclopropylmethyl)-4-(pyridin-3-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-6-carboxamide
CID 97379441
(3S,4aS,8aR)-6-(2-methoxyacetyl)-N-pyridin-3-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
CID 155879935

Frequently Asked Questions

What is the IUPAC name of (3aR,6S,7aR)-4-(cyclopropylmethyl)-N-pyridin-3-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The IUPAC name of (3aR,6S,7aR)-4-(cyclopropylmethyl)-N-pyridin-3-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (CID 97380448) is (3aR,6S,7aR)-4-(cyclopropylmethyl)-N-pyridin-3-yl-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-(cyclopropylmethyl)-N-pyridin-3-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for (3aR,6S,7aR)-4-(cyclopropylmethyl)-N-pyridin-3-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide is O=C(Nc1cccnc1)[C@H]1C[C@H]2OCC[C@H]2N(CC2CC2)C1.
What is the InChIKey of (3aR,6S,7aR)-4-(cyclopropylmethyl)-N-pyridin-3-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The InChIKey is RWLVFDQCBGDWEJ-NUEKZKHPSA-N. The full InChI is InChI=1S/C17H23N3O2/c21-17(19-14-2-1-6-18-9-14)13-8-16-15(5-7-22-16)20(11-13)10-12-3-4-12/h1-2,6,9,12-13,15-16H,3-5,7-8,10-11H2,(H,19,21)/t13-,15+,16+/m0/s1.
What are the key properties of (3aR,6S,7aR)-4-(cyclopropylmethyl)-N-pyridin-3-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
(3aR,6S,7aR)-4-(cyclopropylmethyl)-N-pyridin-3-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S,7aR)-4-(cyclopropylmethyl)-N-pyridin-3-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 97380448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).