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

C16H26N4O2 — CID 97459851

IUPACN-[[(1R,3aR,7aR)-5-propyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide
SMILESCCCN1CC[C@@H]2[C@@H](CO[C@H]2CNC(=O)c2nccn2C)C1
InChIInChI=1S/C16H26N4O2/c1-3-6-20-7-4-13-12(10-20)11-22-14(13)9-18-16(21)15-17-5-8-19(15)2/h5,8,12-14H,3-4,6-7,9-11H2,1-2H3,(H,18,21)/t12-,13-,14+/m1/s1
InChIKeyRRLPXHKGORQUBI-MCIONIFRSA-N
MW306.41 g/mol
LogP0.90
Rot. Bonds5

About N-[[(1R,3aR,7aR)-5-propyl-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-propyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide (PubChem CID 97459851) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[[(1R,3aR,7aR)-5-propyl-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-propyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide
PubChem CID97459851
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-[[(1R,3aR,7aR)-5-propyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide
SMILESCCCN1CC[C@@H]2[C@@H](CO[C@H]2CNC(=O)c2nccn2C)C1
InChIInChI=1S/C16H26N4O2/c1-3-6-20-7-4-13-12(10-20)11-22-14(13)9-18-16(21)15-17-5-8-19(15)2/h5,8,12-14H,3-4,6-7,9-11H2,1-2H3,(H,18,21)/t12-,13-,14+/m1/s1
InChIKeyRRLPXHKGORQUBI-MCIONIFRSA-N
XLogP0.90
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(1R,3aR,7aR)-5-propyl-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-propyl-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-propyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide (CID 97459851) is N-[[(1R,3aR,7aR)-5-propyl-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-propyl-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-propyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide is CCCN1CC[C@@H]2[C@@H](CO[C@H]2CNC(=O)c2nccn2C)C1.
What is the InChIKey of N-[[(1R,3aR,7aR)-5-propyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide?
The InChIKey is RRLPXHKGORQUBI-MCIONIFRSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-3-6-20-7-4-13-12(10-20)11-22-14(13)9-18-16(21)15-17-5-8-19(15)2/h5,8,12-14H,3-4,6-7,9-11H2,1-2H3,(H,18,21)/t12-,13-,14+/m1/s1.
What are the key properties of N-[[(1R,3aR,7aR)-5-propyl-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-propyl-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 306.41 g/mol, XLogP of 0.90, 5 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-propyl-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 97459851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).