N-[2-[(3aS,7aR)-5-(pyridin-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]pyrrolidine-1-carboxamide

C20H30N4O2 — CID 97482396

IUPACN-[2-[(3aS,7aR)-5-(pyridin-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]pyrrolidine-1-carboxamide
SMILESO=C(NCC[C@@]12CCO[C@@H]1CCN(Cc1cccnc1)C2)N1CCCC1
InChIInChI=1S/C20H30N4O2/c25-19(24-10-1-2-11-24)22-9-6-20-7-13-26-18(20)5-12-23(16-20)15-17-4-3-8-21-14-17/h3-4,8,14,18H,1-2,5-7,9-13,15-16H2,(H,22,25)/t18-,20+/m1/s1
InChIKeyGFOYTGXQAGPLIO-QUCCMNQESA-N
MW358.49 g/mol
LogP2.26
Rot. Bonds5

About N-[2-[(3aS,7aR)-5-(pyridin-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]pyrrolidine-1-carboxamide

N-[2-[(3aS,7aR)-5-(pyridin-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]pyrrolidine-1-carboxamide (PubChem CID 97482396) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[2-[(3aS,7aR)-5-(pyridin-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(3aS,7aR)-5-(pyridin-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]pyrrolidine-1-carboxamide
PubChem CID97482396
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-[2-[(3aS,7aR)-5-(pyridin-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]pyrrolidine-1-carboxamide
SMILESO=C(NCC[C@@]12CCO[C@@H]1CCN(Cc1cccnc1)C2)N1CCCC1
InChIInChI=1S/C20H30N4O2/c25-19(24-10-1-2-11-24)22-9-6-20-7-13-26-18(20)5-12-23(16-20)15-17-4-3-8-21-14-17/h3-4,8,14,18H,1-2,5-7,9-13,15-16H2,(H,22,25)/t18-,20+/m1/s1
InChIKeyGFOYTGXQAGPLIO-QUCCMNQESA-N
XLogP2.26
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[(3aS,7aR)-5-(pyridin-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]pyrrolidine-1-carboxamide with MolForge

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Related Compounds

4a-(methoxymethyl)-6-(pyridin-3-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 131646148
(3aS,7aR)-3a-(pyridin-4-ylmethoxymethyl)-5-(pyridin-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 171697129
2-[[(4aR,8aS)-6-(pyridin-3-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide
CID 97363759
4a-(methoxymethyl)-6-(pyridin-3-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid
CID 171697223
6-(pyridin-3-ylmethyl)-4a-(pyridin-3-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine;tris(2,2,2-trifluoroacetic acid)
CID 155849634
4a-(ethoxymethyl)-6-(pyridin-3-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155832725
4a-(cyclopropylmethoxymethyl)-6-(pyridin-3-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155845712
(3aS,7aR)-3a-(pyridin-3-ylmethoxymethyl)-5-(thiophen-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155842967
N-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47139414
N-[2-[(3aS,7aR)-5-[(4-fluorophenyl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]pyrimidin-2-amine
CID 97476325
(3aR,7aR)-5-acetyl-N-(pyridin-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 97362803
[7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-pyrrolidin-1-ylmethanone
CID 97392828

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3aS,7aR)-5-(pyridin-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-[(3aS,7aR)-5-(pyridin-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]pyrrolidine-1-carboxamide (CID 97482396) is N-[2-[(3aS,7aR)-5-(pyridin-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-[(3aS,7aR)-5-(pyridin-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-[(3aS,7aR)-5-(pyridin-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]pyrrolidine-1-carboxamide is O=C(NCC[C@@]12CCO[C@@H]1CCN(Cc1cccnc1)C2)N1CCCC1.
What is the InChIKey of N-[2-[(3aS,7aR)-5-(pyridin-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]pyrrolidine-1-carboxamide?
The InChIKey is GFOYTGXQAGPLIO-QUCCMNQESA-N. The full InChI is InChI=1S/C20H30N4O2/c25-19(24-10-1-2-11-24)22-9-6-20-7-13-26-18(20)5-12-23(16-20)15-17-4-3-8-21-14-17/h3-4,8,14,18H,1-2,5-7,9-13,15-16H2,(H,22,25)/t18-,20+/m1/s1.
What are the key properties of N-[2-[(3aS,7aR)-5-(pyridin-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]pyrrolidine-1-carboxamide?
N-[2-[(3aS,7aR)-5-(pyridin-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]pyrrolidine-1-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3aS,7aR)-5-(pyridin-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 97482396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).