N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]naphthalene-1-carboxamide

C30H32N2O3 — CID 5113847

IUPACN-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1cccc(C2CC3CN(C(=O)C4CCCC4)CCC3O2)c1)c1cccc2ccccc12
InChIInChI=1S/C30H32N2O3/c33-29(26-14-6-10-20-7-3-4-13-25(20)26)31-24-12-5-11-22(17-24)28-18-23-19-32(16-15-27(23)35-28)30(34)21-8-1-2-9-21/h3-7,10-14,17,21,23,27-28H,1-2,8-9,15-16,18-19H2,(H,31,33)
InChIKeyFAXHVKPIODPSKS-UHFFFAOYSA-N
MW468.60 g/mol
LogP5.96
Rot. Bonds4

About N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]naphthalene-1-carboxamide

N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]naphthalene-1-carboxamide (PubChem CID 5113847) has the molecular formula C30H32N2O3 and a molecular weight of 468.60 g/mol. Its IUPAC name is N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]naphthalene-1-carboxamide
PubChem CID5113847
Molecular FormulaC30H32N2O3
Molecular Weight468.60 g/mol
Exact Mass468.24
IUPAC NameN-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1cccc(C2CC3CN(C(=O)C4CCCC4)CCC3O2)c1)c1cccc2ccccc12
InChIInChI=1S/C30H32N2O3/c33-29(26-14-6-10-20-7-3-4-13-25(20)26)31-24-12-5-11-22(17-24)28-18-23-19-32(16-15-27(23)35-28)30(34)21-8-1-2-9-21/h3-7,10-14,17,21,23,27-28H,1-2,8-9,15-16,18-19H2,(H,31,33)
InChIKeyFAXHVKPIODPSKS-UHFFFAOYSA-N
XLogP5.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]naphthalene-1-carboxamide with MolForge

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Related Compounds

N-[3-[(2R,3aS,7aS)-5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]cyclopentanecarboxamide
CID 11894641
N-[3-[(2S,3aR,7aS)-5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide
CID 11906634
N-[3-[(2S,3aR,7aS)-5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-2-chloroacetamide
CID 11903434
N-[3-[(2S,3aS,7aS)-5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-dichloroacetamide
CID 11903343
N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylpropanamide
CID 3515679
N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 4038804
N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 3980973
N-[[1-(cyclohexanecarbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 45219081
N-[4-(pyrrolidine-1-carbonyl)phenyl]naphthalene-1-carboxamide
CID 2986145
azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 27659108
N-[3-(cyclopropylcarbamoyl)-4-pyrrolidin-1-ylphenyl]naphthalene-1-carboxamide
CID 42755975
N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 1048483

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]naphthalene-1-carboxamide (CID 5113847) is N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]naphthalene-1-carboxamide is O=C(Nc1cccc(C2CC3CN(C(=O)C4CCCC4)CCC3O2)c1)c1cccc2ccccc12.
What is the InChIKey of N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]naphthalene-1-carboxamide?
The InChIKey is FAXHVKPIODPSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O3/c33-29(26-14-6-10-20-7-3-4-13-25(20)26)31-24-12-5-11-22(17-24)28-18-23-19-32(16-15-27(23)35-28)30(34)21-8-1-2-9-21/h3-7,10-14,17,21,23,27-28H,1-2,8-9,15-16,18-19H2,(H,31,33).
What are the key properties of N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]naphthalene-1-carboxamide?
N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]naphthalene-1-carboxamide has a molecular weight of 468.60 g/mol, XLogP of 5.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 5113847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).