N-[[(3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide

C18H23N5O2 — CID 97420733

IUPACN-[[(3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide
SMILESCn1cc(CN2C[C@@H]3COC[C@]3(CNC(=O)c3cccnc3)C2)cn1
InChIInChI=1S/C18H23N5O2/c1-22-7-14(5-21-22)8-23-9-16-10-25-13-18(16,12-23)11-20-17(24)15-3-2-4-19-6-15/h2-7,16H,8-13H2,1H3,(H,20,24)/t16-,18+/m1/s1
InChIKeyZKRUHPAHCHFDCC-AEFFLSMTSA-N
MW341.41 g/mol
LogP0.69
Rot. Bonds5

About N-[[(3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide

N-[[(3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide (PubChem CID 97420733) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[[(3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide
PubChem CID97420733
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC NameN-[[(3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide
SMILESCn1cc(CN2C[C@@H]3COC[C@]3(CNC(=O)c3cccnc3)C2)cn1
InChIInChI=1S/C18H23N5O2/c1-22-7-14(5-21-22)8-23-9-16-10-25-13-18(16,12-23)11-20-17(24)15-3-2-4-19-6-15/h2-7,16H,8-13H2,1H3,(H,20,24)/t16-,18+/m1/s1
InChIKeyZKRUHPAHCHFDCC-AEFFLSMTSA-N
XLogP0.69
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[(3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide (CID 97420733) is N-[[(3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[(3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[(3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide is Cn1cc(CN2C[C@@H]3COC[C@]3(CNC(=O)c3cccnc3)C2)cn1.
What is the InChIKey of N-[[(3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide?
The InChIKey is ZKRUHPAHCHFDCC-AEFFLSMTSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-22-7-14(5-21-22)8-23-9-16-10-25-13-18(16,12-23)11-20-17(24)15-3-2-4-19-6-15/h2-7,16H,8-13H2,1H3,(H,20,24)/t16-,18+/m1/s1.
What are the key properties of N-[[(3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide?
N-[[(3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 97420733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).