(3aR,7aR)-N-(pyridin-2-ylmethyl)-5-pyrimidin-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

C18H21N5O2 — CID 97387292

IUPAC(3aR,7aR)-N-(pyridin-2-ylmethyl)-5-pyrimidin-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESO=C(NCc1ccccn1)[C@@]12CCO[C@@H]1CCN(c1ncccn1)C2
InChIInChI=1S/C18H21N5O2/c24-16(22-12-14-4-1-2-7-19-14)18-6-11-25-15(18)5-10-23(13-18)17-20-8-3-9-21-17/h1-4,7-9,15H,5-6,10-13H2,(H,22,24)/t15-,18-/m1/s1
InChIKeyWYAGXKOMSPAOGS-CRAIPNDOSA-N
MW339.40 g/mol
LogP1.17
Rot. Bonds4

About (3aR,7aR)-N-(pyridin-2-ylmethyl)-5-pyrimidin-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

(3aR,7aR)-N-(pyridin-2-ylmethyl)-5-pyrimidin-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (PubChem CID 97387292) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is (3aR,7aR)-N-(pyridin-2-ylmethyl)-5-pyrimidin-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.

Molecular Properties

Compound Name(3aR,7aR)-N-(pyridin-2-ylmethyl)-5-pyrimidin-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
PubChem CID97387292
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name(3aR,7aR)-N-(pyridin-2-ylmethyl)-5-pyrimidin-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESO=C(NCc1ccccn1)[C@@]12CCO[C@@H]1CCN(c1ncccn1)C2
InChIInChI=1S/C18H21N5O2/c24-16(22-12-14-4-1-2-7-19-14)18-6-11-25-15(18)5-10-23(13-18)17-20-8-3-9-21-17/h1-4,7-9,15H,5-6,10-13H2,(H,22,24)/t15-,18-/m1/s1
InChIKeyWYAGXKOMSPAOGS-CRAIPNDOSA-N
XLogP1.17
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3aR,7aR)-N-(pyridin-2-ylmethyl)-5-pyrimidin-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide with MolForge

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Related Compounds

(3aS,7aS)-5-pyrimidin-2-yl-N-(thiophen-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 124781282
(3aS,7aR)-5-acetyl-N-(2-pyridin-2-ylethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 125235405
(3aR,7aR)-N-(2-pyridin-2-ylethyl)-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;dihydrochloride
CID 155834162
N-(pyridin-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109258550
1-N'-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108970618
[3-methyl-3-(pyridin-2-ylmethylcarbamoyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174977727
(2R,3S)-3-(pyridin-2-ylmethylcarbamoyl)bicyclo[2.2.2]octane-2-carboxylic acid
CID 40635560
1-phenyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 30944923
1-amino-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 24708548
(4aR,8aR)-1-methyl-2-oxo-N-(pyridin-2-ylmethyl)-4,5,6,7,8,8a-hexahydro-3H-quinoline-4a-carboxamide
CID 91925274
1-cyano-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 80599426
(3aS,8aS)-N-(cyclopropylmethyl)-5-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-3,3a,4,6,7,8-hexahydro-1H-pyrrolo[3,4-c]azepine-8a-carboxamide;tris(2,2,2-trifluoroacetic acid)
CID 171685932

Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-N-(pyridin-2-ylmethyl)-5-pyrimidin-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The IUPAC name of (3aR,7aR)-N-(pyridin-2-ylmethyl)-5-pyrimidin-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (CID 97387292) is (3aR,7aR)-N-(pyridin-2-ylmethyl)-5-pyrimidin-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.
What is the SMILES notation for (3aR,7aR)-N-(pyridin-2-ylmethyl)-5-pyrimidin-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The canonical SMILES for (3aR,7aR)-N-(pyridin-2-ylmethyl)-5-pyrimidin-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is O=C(NCc1ccccn1)[C@@]12CCO[C@@H]1CCN(c1ncccn1)C2.
What is the InChIKey of (3aR,7aR)-N-(pyridin-2-ylmethyl)-5-pyrimidin-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The InChIKey is WYAGXKOMSPAOGS-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H21N5O2/c24-16(22-12-14-4-1-2-7-19-14)18-6-11-25-15(18)5-10-23(13-18)17-20-8-3-9-21-17/h1-4,7-9,15H,5-6,10-13H2,(H,22,24)/t15-,18-/m1/s1.
What are the key properties of (3aR,7aR)-N-(pyridin-2-ylmethyl)-5-pyrimidin-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
(3aR,7aR)-N-(pyridin-2-ylmethyl)-5-pyrimidin-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-N-(pyridin-2-ylmethyl)-5-pyrimidin-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is sourced from PubChem (CID 97387292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).