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

C15H24N4O2 — CID 124805421

IUPAC(2S,3aR,7aS)-N,N-dimethyl-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1C[C@H]2CCN(Cc3cnn(C)c3)C[C@H]2O1
InChIInChI=1S/C15H24N4O2/c1-17(2)15(20)13-6-12-4-5-19(10-14(12)21-13)9-11-7-16-18(3)8-11/h7-8,12-14H,4-6,9-10H2,1-3H3/t12-,13+,14-/m1/s1
InChIKeyKWWUYYFMHKAVSZ-HZSPNIEDSA-N
MW292.38 g/mol
LogP0.49
Rot. Bonds3

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

(2S,3aR,7aS)-N,N-dimethyl-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (PubChem CID 124805421) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2S,3aR,7aS)-N,N-dimethyl-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name(2S,3aR,7aS)-N,N-dimethyl-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
PubChem CID124805421
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name(2S,3aR,7aS)-N,N-dimethyl-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1C[C@H]2CCN(Cc3cnn(C)c3)C[C@H]2O1
InChIInChI=1S/C15H24N4O2/c1-17(2)15(20)13-6-12-4-5-19(10-14(12)21-13)9-11-7-16-18(3)8-11/h7-8,12-14H,4-6,9-10H2,1-3H3/t12-,13+,14-/m1/s1
InChIKeyKWWUYYFMHKAVSZ-HZSPNIEDSA-N
XLogP0.49
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3aR,7aS)-N,N-dimethyl-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of (2S,3aR,7aS)-N,N-dimethyl-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (CID 124805421) is (2S,3aR,7aS)-N,N-dimethyl-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for (2S,3aR,7aS)-N,N-dimethyl-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for (2S,3aR,7aS)-N,N-dimethyl-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is CN(C)C(=O)[C@@H]1C[C@H]2CCN(Cc3cnn(C)c3)C[C@H]2O1.
What is the InChIKey of (2S,3aR,7aS)-N,N-dimethyl-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is KWWUYYFMHKAVSZ-HZSPNIEDSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-17(2)15(20)13-6-12-4-5-19(10-14(12)21-13)9-11-7-16-18(3)8-11/h7-8,12-14H,4-6,9-10H2,1-3H3/t12-,13+,14-/m1/s1.
What are the key properties of (2S,3aR,7aS)-N,N-dimethyl-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
(2S,3aR,7aS)-N,N-dimethyl-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aR,7aS)-N,N-dimethyl-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 124805421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).