N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-9H-fluorene-2-carboxamide

C29H30N2O — CID 15463157

IUPACN-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-9H-fluorene-2-carboxamide
SMILESO=C(NCCCCN1CC=C(c2ccccc2)CC1)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C29H30N2O/c32-29(25-12-13-28-26(21-25)20-24-10-4-5-11-27(24)28)30-16-6-7-17-31-18-14-23(15-19-31)22-8-2-1-3-9-22/h1-5,8-14,21H,6-7,15-20H2,(H,30,32)
InChIKeyFRZQHTFWWUJWBQ-UHFFFAOYSA-N
MW422.57 g/mol
LogP5.56
Rot. Bonds7

About N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-9H-fluorene-2-carboxamide

N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-9H-fluorene-2-carboxamide (PubChem CID 15463157) has the molecular formula C29H30N2O and a molecular weight of 422.57 g/mol. Its IUPAC name is N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-9H-fluorene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-9H-fluorene-2-carboxamide
PubChem CID15463157
Molecular FormulaC29H30N2O
Molecular Weight422.57 g/mol
Exact Mass422.24
IUPAC NameN-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-9H-fluorene-2-carboxamide
SMILESO=C(NCCCCN1CC=C(c2ccccc2)CC1)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C29H30N2O/c32-29(25-12-13-28-26(21-25)20-24-10-4-5-11-27(24)28)30-16-6-7-17-31-18-14-23(15-19-31)22-8-2-1-3-9-22/h1-5,8-14,21H,6-7,15-20H2,(H,30,32)
InChIKeyFRZQHTFWWUJWBQ-UHFFFAOYSA-N
XLogP5.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxypropyl)-9H-fluorene-2-carboxamide
CID 78869667
methyl 4-amino-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butylcarbamoyl]benzoate
CID 19092298
4-(2-aminomorpholine-4-carbonyl)-N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzamide
CID 174415342
1-oxo-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5,6-dihydro-4H-thiopyrano[3,4-c]quinoline-9-carboxamide;hydrochloride
CID 142711415
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-9H-fluorene-2-carboxamide
CID 15463155
N-[(4R)-4-hydroxyhexyl]-9H-fluorene-2-carboxamide
CID 97025616
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzamide
CID 71271945
3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-phenylphenyl)propan-1-one
CID 10474151
4-fluoro-N-[2-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]benzamide
CID 19096211
N-[4-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-phenylbenzamide
CID 18797048
N-[2-[4-(1-tert-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide
CID 50975734
N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95166108

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-9H-fluorene-2-carboxamide?
The IUPAC name of N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-9H-fluorene-2-carboxamide (CID 15463157) is N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-9H-fluorene-2-carboxamide.
What is the SMILES notation for N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-9H-fluorene-2-carboxamide?
The canonical SMILES for N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-9H-fluorene-2-carboxamide is O=C(NCCCCN1CC=C(c2ccccc2)CC1)c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-9H-fluorene-2-carboxamide?
The InChIKey is FRZQHTFWWUJWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O/c32-29(25-12-13-28-26(21-25)20-24-10-4-5-11-27(24)28)30-16-6-7-17-31-18-14-23(15-19-31)22-8-2-1-3-9-22/h1-5,8-14,21H,6-7,15-20H2,(H,30,32).
What are the key properties of N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-9H-fluorene-2-carboxamide?
N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-9H-fluorene-2-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-9H-fluorene-2-carboxamide is sourced from PubChem (CID 15463157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).