N-[[(1R,3aR,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide

C14H22N4O2 — CID 97459850

IUPACN-[[(1R,3aR,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide
SMILESCN1CC[C@@H]2[C@@H](CO[C@H]2CNC(=O)c2nccn2C)C1
InChIInChI=1S/C14H22N4O2/c1-17-5-3-11-10(8-17)9-20-12(11)7-16-14(19)13-15-4-6-18(13)2/h4,6,10-12H,3,5,7-9H2,1-2H3,(H,16,19)/t10-,11-,12+/m1/s1
InChIKeyALDIHCCYQBDPGD-UTUOFQBUSA-N
MW278.36 g/mol
LogP0.12
Rot. Bonds3

About N-[[(1R,3aR,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide

N-[[(1R,3aR,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide (PubChem CID 97459850) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[[(1R,3aR,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[[(1R,3aR,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide
PubChem CID97459850
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[[(1R,3aR,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide
SMILESCN1CC[C@@H]2[C@@H](CO[C@H]2CNC(=O)c2nccn2C)C1
InChIInChI=1S/C14H22N4O2/c1-17-5-3-11-10(8-17)9-20-12(11)7-16-14(19)13-15-4-6-18(13)2/h4,6,10-12H,3,5,7-9H2,1-2H3,(H,16,19)/t10-,11-,12+/m1/s1
InChIKeyALDIHCCYQBDPGD-UTUOFQBUSA-N
XLogP0.12
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(1R,3aR,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,3aR,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide?
The IUPAC name of N-[[(1R,3aR,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide (CID 97459850) is N-[[(1R,3aR,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-[[(1R,3aR,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-[[(1R,3aR,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide is CN1CC[C@@H]2[C@@H](CO[C@H]2CNC(=O)c2nccn2C)C1.
What is the InChIKey of N-[[(1R,3aR,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide?
The InChIKey is ALDIHCCYQBDPGD-UTUOFQBUSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-17-5-3-11-10(8-17)9-20-12(11)7-16-14(19)13-15-4-6-18(13)2/h4,6,10-12H,3,5,7-9H2,1-2H3,(H,16,19)/t10-,11-,12+/m1/s1.
What are the key properties of N-[[(1R,3aR,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide?
N-[[(1R,3aR,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,3aR,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 97459850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).