N-[(2S)-1-(4-chlorophenyl)-3-oxo-7-pyridin-3-ylheptan-2-yl]-6-fluoronaphthalene-2-carboxamide

C29H26ClFN2O2 — CID 158236548

IUPACN-[(2S)-1-(4-chlorophenyl)-3-oxo-7-pyridin-3-ylheptan-2-yl]-6-fluoronaphthalene-2-carboxamide
SMILESO=C(N[C@@H](Cc1ccc(Cl)cc1)C(=O)CCCCc1cccnc1)c1ccc2cc(F)ccc2c1
InChIInChI=1S/C29H26ClFN2O2/c30-25-12-7-20(8-13-25)16-27(28(34)6-2-1-4-21-5-3-15-32-19-21)33-29(35)24-10-9-23-18-26(31)14-11-22(23)17-24/h3,5,7-15,17-19,27H,1-2,4,6,16H2,(H,33,35)/t27-/m0/s1
InChIKeyGFAMIALCWWKRRY-MHZLTWQESA-N
MW488.99 g/mol
LogP6.35
Rot. Bonds10

About N-[(2S)-1-(4-chlorophenyl)-3-oxo-7-pyridin-3-ylheptan-2-yl]-6-fluoronaphthalene-2-carboxamide

N-[(2S)-1-(4-chlorophenyl)-3-oxo-7-pyridin-3-ylheptan-2-yl]-6-fluoronaphthalene-2-carboxamide (PubChem CID 158236548) has the molecular formula C29H26ClFN2O2 and a molecular weight of 488.99 g/mol. Its IUPAC name is N-[(2S)-1-(4-chlorophenyl)-3-oxo-7-pyridin-3-ylheptan-2-yl]-6-fluoronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(4-chlorophenyl)-3-oxo-7-pyridin-3-ylheptan-2-yl]-6-fluoronaphthalene-2-carboxamide
PubChem CID158236548
Molecular FormulaC29H26ClFN2O2
Molecular Weight488.99 g/mol
Exact Mass488.17
IUPAC NameN-[(2S)-1-(4-chlorophenyl)-3-oxo-7-pyridin-3-ylheptan-2-yl]-6-fluoronaphthalene-2-carboxamide
SMILESO=C(N[C@@H](Cc1ccc(Cl)cc1)C(=O)CCCCc1cccnc1)c1ccc2cc(F)ccc2c1
InChIInChI=1S/C29H26ClFN2O2/c30-25-12-7-20(8-13-25)16-27(28(34)6-2-1-4-21-5-3-15-32-19-21)33-29(35)24-10-9-23-18-26(31)14-11-22(23)17-24/h3,5,7-15,17-19,27H,1-2,4,6,16H2,(H,33,35)/t27-/m0/s1
InChIKeyGFAMIALCWWKRRY-MHZLTWQESA-N
XLogP6.35
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.99
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-(4-fluorophenyl)-3-oxo-7-phenylheptan-2-yl]naphthalene-2-carboxamide
CID 161200705
N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-6-fluoronaphthalene-2-carboxamide;N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]naphthalene-2-carboxamide;N-[3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]naphthalene-2-carboxamide;N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-4-phenylbenzamide;N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-3-phenyl-1H-indazole-6-carboxamide
CID 163995921
4-chloro-N-[4-methyl-1-oxo-1-(2-pyridin-3-ylethylamino)pentan-2-yl]benzamide
CID 55554912
(2S)-2-(4-chlorophenyl)-2-[(6-fluoronaphthalen-2-yl)-formylamino]-N-(3-pyridin-3-ylpropyl)acetamide
CID 155411049
N-[(2S,8S)-3,7-dioxo-1,9-diphenyl-8-(pyridine-4-carbonylamino)nonan-2-yl]pyridine-4-carboxamide
CID 58426253
2-[[6-[(4-chlorophenyl)methoxy]naphthalene-2-carbonyl]amino]-3-phenylpropanoic acid
CID 58677412
1-(4-fluorophenyl)-4-pyridin-3-ylbutan-1-one
CID 57095920
N-[(2S)-1-(4-chlorophenyl)-3-oxo-7-phenylheptan-2-yl]adamantane-1-carboxamide
CID 157351896
4-[(3S)-3-[(4-fluorobenzoyl)amino]-2-oxo-4-phenylbutyl]benzenesulfonyl chloride
CID 167613833
3-pyridin-3-ylpropyl (2R)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate
CID 94332991
N-[2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]pyridine-3-carboxamide
CID 3039041
1-(4-chlorophenyl)-4-pyridin-3-ylbutan-2-ol
CID 105076712

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4-chlorophenyl)-3-oxo-7-pyridin-3-ylheptan-2-yl]-6-fluoronaphthalene-2-carboxamide?
The IUPAC name of N-[(2S)-1-(4-chlorophenyl)-3-oxo-7-pyridin-3-ylheptan-2-yl]-6-fluoronaphthalene-2-carboxamide (CID 158236548) is N-[(2S)-1-(4-chlorophenyl)-3-oxo-7-pyridin-3-ylheptan-2-yl]-6-fluoronaphthalene-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(4-chlorophenyl)-3-oxo-7-pyridin-3-ylheptan-2-yl]-6-fluoronaphthalene-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(4-chlorophenyl)-3-oxo-7-pyridin-3-ylheptan-2-yl]-6-fluoronaphthalene-2-carboxamide is O=C(N[C@@H](Cc1ccc(Cl)cc1)C(=O)CCCCc1cccnc1)c1ccc2cc(F)ccc2c1.
What is the InChIKey of N-[(2S)-1-(4-chlorophenyl)-3-oxo-7-pyridin-3-ylheptan-2-yl]-6-fluoronaphthalene-2-carboxamide?
The InChIKey is GFAMIALCWWKRRY-MHZLTWQESA-N. The full InChI is InChI=1S/C29H26ClFN2O2/c30-25-12-7-20(8-13-25)16-27(28(34)6-2-1-4-21-5-3-15-32-19-21)33-29(35)24-10-9-23-18-26(31)14-11-22(23)17-24/h3,5,7-15,17-19,27H,1-2,4,6,16H2,(H,33,35)/t27-/m0/s1.
What are the key properties of N-[(2S)-1-(4-chlorophenyl)-3-oxo-7-pyridin-3-ylheptan-2-yl]-6-fluoronaphthalene-2-carboxamide?
N-[(2S)-1-(4-chlorophenyl)-3-oxo-7-pyridin-3-ylheptan-2-yl]-6-fluoronaphthalene-2-carboxamide has a molecular weight of 488.99 g/mol, XLogP of 6.35, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4-chlorophenyl)-3-oxo-7-pyridin-3-ylheptan-2-yl]-6-fluoronaphthalene-2-carboxamide is sourced from PubChem (CID 158236548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).