N-[4-[(furan-2-carbonylamino)methyl]-3,4a,8,8-tetramethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]pyridine-3-carboxamide

C26H35N3O3 — CID 123413705

IUPACN-[4-[(furan-2-carbonylamino)methyl]-3,4a,8,8-tetramethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]pyridine-3-carboxamide
SMILESCC1C(NC(=O)c2cccnc2)CC2C(C)(C)CCCC2(C)C1CNC(=O)c1ccco1
InChIInChI=1S/C26H35N3O3/c1-17-19(16-28-24(31)21-9-6-13-32-21)26(4)11-7-10-25(2,3)22(26)14-20(17)29-23(30)18-8-5-12-27-15-18/h5-6,8-9,12-13,15,17,19-20,22H,7,10-11,14,16H2,1-4H3,(H,28,31)(H,29,30)
InChIKeyQWTDZGGOZRPXJQ-UHFFFAOYSA-N
MW437.58 g/mol
LogP4.69
Rot. Bonds5

About N-[4-[(furan-2-carbonylamino)methyl]-3,4a,8,8-tetramethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]pyridine-3-carboxamide

N-[4-[(furan-2-carbonylamino)methyl]-3,4a,8,8-tetramethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]pyridine-3-carboxamide (PubChem CID 123413705) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is N-[4-[(furan-2-carbonylamino)methyl]-3,4a,8,8-tetramethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(furan-2-carbonylamino)methyl]-3,4a,8,8-tetramethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]pyridine-3-carboxamide
PubChem CID123413705
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC NameN-[4-[(furan-2-carbonylamino)methyl]-3,4a,8,8-tetramethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]pyridine-3-carboxamide
SMILESCC1C(NC(=O)c2cccnc2)CC2C(C)(C)CCCC2(C)C1CNC(=O)c1ccco1
InChIInChI=1S/C26H35N3O3/c1-17-19(16-28-24(31)21-9-6-13-32-21)26(4)11-7-10-25(2,3)22(26)14-20(17)29-23(30)18-8-5-12-27-15-18/h5-6,8-9,12-13,15,17,19-20,22H,7,10-11,14,16H2,1-4H3,(H,28,31)(H,29,30)
InChIKeyQWTDZGGOZRPXJQ-UHFFFAOYSA-N
XLogP4.69
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[(furan-2-carbonylamino)methyl]-3,4a,8,8-tetramethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

[(1S,2S,3R,8aS)-2,5,5,8a-tetramethyl-3-(pyridine-3-carbonylamino)-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]methyl methanesulfonate
CID 90290027
N-[(2R,3R,4S,4aS,8aS)-4-(3,5-dihydroxybenzoyl)-3,4a,8,8-tetramethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]pyridine-3-carboxamide
CID 90280397
N-[4-(3,5-dihydroxybenzoyl)-3,4a,8,8-tetramethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]pyridine-3-carboxamide
CID 123628557
N-[(2R,3R,4S,4aS,8aS)-4-(3,5-dihydroxybenzoyl)-3,4a,8,8-tetramethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]benzamide
CID 90280541
N-[(1R,4R,6S)-2-(furan-2-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 87052675
N-[(3,3-dimethylpiperidin-2-yl)methyl]furan-2-carboxamide;hydrochloride
CID 120670986
N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 11841361
N-[(1-methylcyclobutyl)methyl]furan-2-carboxamide
CID 103737372
2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 75356428
trans-(1R,2R)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 97161380
trans-methyl (1S,2S)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylate
CID 97053849
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]furan-2-carboxamide
CID 41412119

Frequently Asked Questions

What is the IUPAC name of N-[4-[(furan-2-carbonylamino)methyl]-3,4a,8,8-tetramethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[(furan-2-carbonylamino)methyl]-3,4a,8,8-tetramethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]pyridine-3-carboxamide (CID 123413705) is N-[4-[(furan-2-carbonylamino)methyl]-3,4a,8,8-tetramethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(furan-2-carbonylamino)methyl]-3,4a,8,8-tetramethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[(furan-2-carbonylamino)methyl]-3,4a,8,8-tetramethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]pyridine-3-carboxamide is CC1C(NC(=O)c2cccnc2)CC2C(C)(C)CCCC2(C)C1CNC(=O)c1ccco1.
What is the InChIKey of N-[4-[(furan-2-carbonylamino)methyl]-3,4a,8,8-tetramethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]pyridine-3-carboxamide?
The InChIKey is QWTDZGGOZRPXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-17-19(16-28-24(31)21-9-6-13-32-21)26(4)11-7-10-25(2,3)22(26)14-20(17)29-23(30)18-8-5-12-27-15-18/h5-6,8-9,12-13,15,17,19-20,22H,7,10-11,14,16H2,1-4H3,(H,28,31)(H,29,30).
What are the key properties of N-[4-[(furan-2-carbonylamino)methyl]-3,4a,8,8-tetramethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]pyridine-3-carboxamide?
N-[4-[(furan-2-carbonylamino)methyl]-3,4a,8,8-tetramethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]pyridine-3-carboxamide has a molecular weight of 437.58 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(furan-2-carbonylamino)methyl]-3,4a,8,8-tetramethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 123413705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).