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

C19H23N3O3 — CID 97459836

IUPACN-[[(1R,3aR,7aR)-5-(6-methyl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]furan-2-carboxamide
SMILESCc1cccc(N2CC[C@@H]3[C@@H](CO[C@H]3CNC(=O)c3ccco3)C2)n1
InChIInChI=1S/C19H23N3O3/c1-13-4-2-6-18(21-13)22-8-7-15-14(11-22)12-25-17(15)10-20-19(23)16-5-3-9-24-16/h2-6,9,14-15,17H,7-8,10-12H2,1H3,(H,20,23)/t14-,15-,17+/m1/s1
InChIKeyLIASIUBAQYTHJG-INMHGKMJSA-N
MW341.41 g/mol
LogP2.25
Rot. Bonds4

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

N-[[(1R,3aR,7aR)-5-(6-methyl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]furan-2-carboxamide (PubChem CID 97459836) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[[(1R,3aR,7aR)-5-(6-methyl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[(1R,3aR,7aR)-5-(6-methyl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]furan-2-carboxamide
PubChem CID97459836
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[[(1R,3aR,7aR)-5-(6-methyl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]furan-2-carboxamide
SMILESCc1cccc(N2CC[C@@H]3[C@@H](CO[C@H]3CNC(=O)c3ccco3)C2)n1
InChIInChI=1S/C19H23N3O3/c1-13-4-2-6-18(21-13)22-8-7-15-14(11-22)12-25-17(15)10-20-19(23)16-5-3-9-24-16/h2-6,9,14-15,17H,7-8,10-12H2,1H3,(H,20,23)/t14-,15-,17+/m1/s1
InChIKeyLIASIUBAQYTHJG-INMHGKMJSA-N
XLogP2.25
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[[(1R,3aR,7aR)-5-(6-methyl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide
CID 97459802
N-[[(1R,3aR,7aR)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]furan-2-carboxamide
CID 124780598
N-[[(1R,3aR,7aR)-5-[(1-methylimidazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]furan-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155853510
N-[[(3S,3aR,7aR)-5-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]furan-2-carboxamide
CID 124817615
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
N-[[(3R,3aS,7aR)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]furan-2-carboxamide
CID 125244694
N-[[1-(2-aminopyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 131910940
N-[[(3R,3aS,7aS)-5-(furan-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1,2-oxazole-5-carboxamide
CID 124780347
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 110640542
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]furan-2-carboxamide
CID 94017739
(3R)-1-(6-methyl-2-pyridinyl)pyrrolidin-3-ol
CID 103801636
(3R)-1-(6-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 67001485

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,3aR,7aR)-5-(6-methyl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[(1R,3aR,7aR)-5-(6-methyl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]furan-2-carboxamide (CID 97459836) is N-[[(1R,3aR,7aR)-5-(6-methyl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[(1R,3aR,7aR)-5-(6-methyl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[(1R,3aR,7aR)-5-(6-methyl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]furan-2-carboxamide is Cc1cccc(N2CC[C@@H]3[C@@H](CO[C@H]3CNC(=O)c3ccco3)C2)n1.
What is the InChIKey of N-[[(1R,3aR,7aR)-5-(6-methyl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]furan-2-carboxamide?
The InChIKey is LIASIUBAQYTHJG-INMHGKMJSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-4-2-6-18(21-13)22-8-7-15-14(11-22)12-25-17(15)10-20-19(23)16-5-3-9-24-16/h2-6,9,14-15,17H,7-8,10-12H2,1H3,(H,20,23)/t14-,15-,17+/m1/s1.
What are the key properties of N-[[(1R,3aR,7aR)-5-(6-methyl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]furan-2-carboxamide?
N-[[(1R,3aR,7aR)-5-(6-methyl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]furan-2-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,3aR,7aR)-5-(6-methyl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 97459836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).