N-[2-[1-(4-chlorophenyl)ethylamino]-4-pyridinyl]-N-[(4-fluorophenyl)methyl]naphthalene-2-carboxamide

C31H25ClFN3O — CID 11306782

IUPACN-[2-[1-(4-chlorophenyl)ethylamino]-4-pyridinyl]-N-[(4-fluorophenyl)methyl]naphthalene-2-carboxamide
SMILESCC(Nc1cc(N(Cc2ccc(F)cc2)C(=O)c2ccc3ccccc3c2)ccn1)c1ccc(Cl)cc1
InChIInChI=1S/C31H25ClFN3O/c1-21(23-10-12-27(32)13-11-23)35-30-19-29(16-17-34-30)36(20-22-6-14-28(33)15-7-22)31(37)26-9-8-24-4-2-3-5-25(24)18-26/h2-19,21H,20H2,1H3,(H,34,35)
InChIKeyCUJHZFIKOJHFQO-UHFFFAOYSA-N
MW510.01 g/mol
LogP8.05
Rot. Bonds7

About N-[2-[1-(4-chlorophenyl)ethylamino]-4-pyridinyl]-N-[(4-fluorophenyl)methyl]naphthalene-2-carboxamide

N-[2-[1-(4-chlorophenyl)ethylamino]-4-pyridinyl]-N-[(4-fluorophenyl)methyl]naphthalene-2-carboxamide (PubChem CID 11306782) has the molecular formula C31H25ClFN3O and a molecular weight of 510.01 g/mol. Its IUPAC name is N-[2-[1-(4-chlorophenyl)ethylamino]-4-pyridinyl]-N-[(4-fluorophenyl)methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(4-chlorophenyl)ethylamino]-4-pyridinyl]-N-[(4-fluorophenyl)methyl]naphthalene-2-carboxamide
PubChem CID11306782
Molecular FormulaC31H25ClFN3O
Molecular Weight510.01 g/mol
Exact Mass509.17
IUPAC NameN-[2-[1-(4-chlorophenyl)ethylamino]-4-pyridinyl]-N-[(4-fluorophenyl)methyl]naphthalene-2-carboxamide
SMILESCC(Nc1cc(N(Cc2ccc(F)cc2)C(=O)c2ccc3ccccc3c2)ccn1)c1ccc(Cl)cc1
InChIInChI=1S/C31H25ClFN3O/c1-21(23-10-12-27(32)13-11-23)35-30-19-29(16-17-34-30)36(20-22-6-14-28(33)15-7-22)31(37)26-9-8-24-4-2-3-5-25(24)18-26/h2-19,21H,20H2,1H3,(H,34,35)
InChIKeyCUJHZFIKOJHFQO-UHFFFAOYSA-N
XLogP8.05
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.01
LogP ≤ 58.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-chlorophenyl)ethylamino]-4-pyridinyl]-N-[(4-fluorophenyl)methyl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-[1-(4-chlorophenyl)ethylamino]-4-pyridinyl]-N-[(4-fluorophenyl)methyl]naphthalene-2-carboxamide (CID 11306782) is N-[2-[1-(4-chlorophenyl)ethylamino]-4-pyridinyl]-N-[(4-fluorophenyl)methyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-[1-(4-chlorophenyl)ethylamino]-4-pyridinyl]-N-[(4-fluorophenyl)methyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-[1-(4-chlorophenyl)ethylamino]-4-pyridinyl]-N-[(4-fluorophenyl)methyl]naphthalene-2-carboxamide is CC(Nc1cc(N(Cc2ccc(F)cc2)C(=O)c2ccc3ccccc3c2)ccn1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[1-(4-chlorophenyl)ethylamino]-4-pyridinyl]-N-[(4-fluorophenyl)methyl]naphthalene-2-carboxamide?
The InChIKey is CUJHZFIKOJHFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25ClFN3O/c1-21(23-10-12-27(32)13-11-23)35-30-19-29(16-17-34-30)36(20-22-6-14-28(33)15-7-22)31(37)26-9-8-24-4-2-3-5-25(24)18-26/h2-19,21H,20H2,1H3,(H,34,35).
What are the key properties of N-[2-[1-(4-chlorophenyl)ethylamino]-4-pyridinyl]-N-[(4-fluorophenyl)methyl]naphthalene-2-carboxamide?
N-[2-[1-(4-chlorophenyl)ethylamino]-4-pyridinyl]-N-[(4-fluorophenyl)methyl]naphthalene-2-carboxamide has a molecular weight of 510.01 g/mol, XLogP of 8.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-chlorophenyl)ethylamino]-4-pyridinyl]-N-[(4-fluorophenyl)methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 11306782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).