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

C16H24N4O2 — CID 131682352

IUPAC(3aR,6S,7aR)-N,N-dimethyl-4-[(6-methylpyrazin-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
SMILESCc1cncc(CN2C[C@@H](C(=O)N(C)C)C[C@H]3OCC[C@H]32)n1
InChIInChI=1S/C16H24N4O2/c1-11-7-17-8-13(18-11)10-20-9-12(16(21)19(2)3)6-15-14(20)4-5-22-15/h7-8,12,14-15H,4-6,9-10H2,1-3H3/t12-,14+,15+/m0/s1
InChIKeyUPQQSNYWTLUSHS-NWANDNLSSA-N
MW304.39 g/mol
LogP0.85
Rot. Bonds3

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

(3aR,6S,7aR)-N,N-dimethyl-4-[(6-methylpyrazin-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (PubChem CID 131682352) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (3aR,6S,7aR)-N,N-dimethyl-4-[(6-methylpyrazin-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name(3aR,6S,7aR)-N,N-dimethyl-4-[(6-methylpyrazin-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
PubChem CID131682352
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(3aR,6S,7aR)-N,N-dimethyl-4-[(6-methylpyrazin-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
SMILESCc1cncc(CN2C[C@@H](C(=O)N(C)C)C[C@H]3OCC[C@H]32)n1
InChIInChI=1S/C16H24N4O2/c1-11-7-17-8-13(18-11)10-20-9-12(16(21)19(2)3)6-15-14(20)4-5-22-15/h7-8,12,14-15H,4-6,9-10H2,1-3H3/t12-,14+,15+/m0/s1
InChIKeyUPQQSNYWTLUSHS-NWANDNLSSA-N
XLogP0.85
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

(3aR,6S,7aR)-4-[(4-methoxyphenyl)methyl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155846322
(3aR,6S,7aR)-N,N-dimethyl-4-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 131682357
(3aR,6R,7aR)-4-[2-(4-chlorophenoxy)ethyl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 98810492
(3aR,6S,7aR)-N,N-dimethyl-4-(2-phenylmethoxyethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 97388013
(3aS,6R,7aS)-4-[2-(4-chlorophenoxy)ethyl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 124812295
[(3aS,6R,7aS)-4-(pyridin-4-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(1,2-oxazolidin-2-yl)methanone
CID 124786964
4-[(6-methylpyrazin-2-yl)methyl]morpholine-3-carboxylic acid
CID 82389048
(4aR,6S,8aR)-4-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide
CID 166624039
[(3aR,6S,7aR)-4-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97380401
[(3aS,6R,7aS)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(1,2-oxazolidin-2-yl)methanone
CID 124808433
[(3aR,6R,7aR)-4-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone
CID 97362944
(3aR,6S,7aR)-N-methyl-4-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
CID 171696944

Frequently Asked Questions

What is the IUPAC name of (3aR,6S,7aR)-N,N-dimethyl-4-[(6-methylpyrazin-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The IUPAC name of (3aR,6S,7aR)-N,N-dimethyl-4-[(6-methylpyrazin-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (CID 131682352) is (3aR,6S,7aR)-N,N-dimethyl-4-[(6-methylpyrazin-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for (3aR,6S,7aR)-N,N-dimethyl-4-[(6-methylpyrazin-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for (3aR,6S,7aR)-N,N-dimethyl-4-[(6-methylpyrazin-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide is Cc1cncc(CN2C[C@@H](C(=O)N(C)C)C[C@H]3OCC[C@H]32)n1.
What is the InChIKey of (3aR,6S,7aR)-N,N-dimethyl-4-[(6-methylpyrazin-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The InChIKey is UPQQSNYWTLUSHS-NWANDNLSSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-11-7-17-8-13(18-11)10-20-9-12(16(21)19(2)3)6-15-14(20)4-5-22-15/h7-8,12,14-15H,4-6,9-10H2,1-3H3/t12-,14+,15+/m0/s1.
What are the key properties of (3aR,6S,7aR)-N,N-dimethyl-4-[(6-methylpyrazin-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
(3aR,6S,7aR)-N,N-dimethyl-4-[(6-methylpyrazin-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S,7aR)-N,N-dimethyl-4-[(6-methylpyrazin-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 131682352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).