N-[[(1R,3aS,7aS)-5-pyridin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyridine-3-carboxamide

C19H22N4O2 — CID 124780493

IUPACN-[[(1R,3aS,7aS)-5-pyridin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NC[C@@H]1OC[C@@H]2CN(c3ccccn3)CC[C@@H]21)c1cccnc1
InChIInChI=1S/C19H22N4O2/c24-19(14-4-3-7-20-10-14)22-11-17-16-6-9-23(12-15(16)13-25-17)18-5-1-2-8-21-18/h1-5,7-8,10,15-17H,6,9,11-13H2,(H,22,24)/t15-,16-,17-/m0/s1
InChIKeyLCZJYWGVPSSIGC-ULQDDVLXSA-N
MW338.41 g/mol
LogP1.75
Rot. Bonds4

About N-[[(1R,3aS,7aS)-5-pyridin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyridine-3-carboxamide

N-[[(1R,3aS,7aS)-5-pyridin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyridine-3-carboxamide (PubChem CID 124780493) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[[(1R,3aS,7aS)-5-pyridin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(1R,3aS,7aS)-5-pyridin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyridine-3-carboxamide
PubChem CID124780493
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[[(1R,3aS,7aS)-5-pyridin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NC[C@@H]1OC[C@@H]2CN(c3ccccn3)CC[C@@H]21)c1cccnc1
InChIInChI=1S/C19H22N4O2/c24-19(14-4-3-7-20-10-14)22-11-17-16-6-9-23(12-15(16)13-25-17)18-5-1-2-8-21-18/h1-5,7-8,10,15-17H,6,9,11-13H2,(H,22,24)/t15-,16-,17-/m0/s1
InChIKeyLCZJYWGVPSSIGC-ULQDDVLXSA-N
XLogP1.75
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(1R,3aS,7aS)-5-pyridin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,3aS,7aS)-5-pyridin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[(1R,3aS,7aS)-5-pyridin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyridine-3-carboxamide (CID 124780493) is N-[[(1R,3aS,7aS)-5-pyridin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[(1R,3aS,7aS)-5-pyridin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[(1R,3aS,7aS)-5-pyridin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyridine-3-carboxamide is O=C(NC[C@@H]1OC[C@@H]2CN(c3ccccn3)CC[C@@H]21)c1cccnc1.
What is the InChIKey of N-[[(1R,3aS,7aS)-5-pyridin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyridine-3-carboxamide?
The InChIKey is LCZJYWGVPSSIGC-ULQDDVLXSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-19(14-4-3-7-20-10-14)22-11-17-16-6-9-23(12-15(16)13-25-17)18-5-1-2-8-21-18/h1-5,7-8,10,15-17H,6,9,11-13H2,(H,22,24)/t15-,16-,17-/m0/s1.
What are the key properties of N-[[(1R,3aS,7aS)-5-pyridin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyridine-3-carboxamide?
N-[[(1R,3aS,7aS)-5-pyridin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyridine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,3aS,7aS)-5-pyridin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 124780493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).