(2S,3aS,7aS)-6-(cyclopropylmethyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

C16H22N4O2 — CID 97366788

IUPAC(2S,3aS,7aS)-6-(cyclopropylmethyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(Nc1cnccn1)[C@@H]1C[C@@H]2CCN(CC3CC3)C[C@H]2O1
InChIInChI=1S/C16H22N4O2/c21-16(19-15-8-17-4-5-18-15)13-7-12-3-6-20(9-11-1-2-11)10-14(12)22-13/h4-5,8,11-14H,1-3,6-7,9-10H2,(H,18,19,21)/t12-,13-,14+/m0/s1
InChIKeyRJLUFNOJLNEBQB-MELADBBJSA-N
MW302.38 g/mol
LogP1.30
Rot. Bonds4

About (2S,3aS,7aS)-6-(cyclopropylmethyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

(2S,3aS,7aS)-6-(cyclopropylmethyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (PubChem CID 97366788) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (2S,3aS,7aS)-6-(cyclopropylmethyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name(2S,3aS,7aS)-6-(cyclopropylmethyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
PubChem CID97366788
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(2S,3aS,7aS)-6-(cyclopropylmethyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(Nc1cnccn1)[C@@H]1C[C@@H]2CCN(CC3CC3)C[C@H]2O1
InChIInChI=1S/C16H22N4O2/c21-16(19-15-8-17-4-5-18-15)13-7-12-3-6-20(9-11-1-2-11)10-14(12)22-13/h4-5,8,11-14H,1-3,6-7,9-10H2,(H,18,19,21)/t12-,13-,14+/m0/s1
InChIKeyRJLUFNOJLNEBQB-MELADBBJSA-N
XLogP1.30
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,3aS,7aS)-6-(cyclopropylmethyl)-N-pyrazin-2-yl-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,3aS,7aS)-6-(cyclopropylmethyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of (2S,3aS,7aS)-6-(cyclopropylmethyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (CID 97366788) is (2S,3aS,7aS)-6-(cyclopropylmethyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for (2S,3aS,7aS)-6-(cyclopropylmethyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for (2S,3aS,7aS)-6-(cyclopropylmethyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is O=C(Nc1cnccn1)[C@@H]1C[C@@H]2CCN(CC3CC3)C[C@H]2O1.
What is the InChIKey of (2S,3aS,7aS)-6-(cyclopropylmethyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is RJLUFNOJLNEBQB-MELADBBJSA-N. The full InChI is InChI=1S/C16H22N4O2/c21-16(19-15-8-17-4-5-18-15)13-7-12-3-6-20(9-11-1-2-11)10-14(12)22-13/h4-5,8,11-14H,1-3,6-7,9-10H2,(H,18,19,21)/t12-,13-,14+/m0/s1.
What are the key properties of (2S,3aS,7aS)-6-(cyclopropylmethyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
(2S,3aS,7aS)-6-(cyclopropylmethyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS,7aS)-6-(cyclopropylmethyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 97366788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).