N-[(4-fluorophenyl)methyl]-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]naphthalene-2-carboxamide

C31H26FN3O — CID 11465681

IUPACN-[(4-fluorophenyl)methyl]-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]naphthalene-2-carboxamide
SMILESC[C@H](Nc1cc(N(Cc2ccc(F)cc2)C(=O)c2ccc3ccccc3c2)ccn1)c1ccccc1
InChIInChI=1S/C31H26FN3O/c1-22(24-7-3-2-4-8-24)34-30-20-29(17-18-33-30)35(21-23-11-15-28(32)16-12-23)31(36)27-14-13-25-9-5-6-10-26(25)19-27/h2-20,22H,21H2,1H3,(H,33,34)/t22-/m0/s1
InChIKeyDQAVYEIGBFVCTI-QFIPXVFZSA-N
MW475.57 g/mol
LogP7.39
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]naphthalene-2-carboxamide

N-[(4-fluorophenyl)methyl]-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]naphthalene-2-carboxamide (PubChem CID 11465681) has the molecular formula C31H26FN3O and a molecular weight of 475.57 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]naphthalene-2-carboxamide
PubChem CID11465681
Molecular FormulaC31H26FN3O
Molecular Weight475.57 g/mol
Exact Mass475.21
IUPAC NameN-[(4-fluorophenyl)methyl]-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]naphthalene-2-carboxamide
SMILESC[C@H](Nc1cc(N(Cc2ccc(F)cc2)C(=O)c2ccc3ccccc3c2)ccn1)c1ccccc1
InChIInChI=1S/C31H26FN3O/c1-22(24-7-3-2-4-8-24)34-30-20-29(17-18-33-30)35(21-23-11-15-28(32)16-12-23)31(36)27-14-13-25-9-5-6-10-26(25)19-27/h2-20,22H,21H2,1H3,(H,33,34)/t22-/m0/s1
InChIKeyDQAVYEIGBFVCTI-QFIPXVFZSA-N
XLogP7.39
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.57
LogP ≤ 57.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]naphthalene-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]naphthalene-2-carboxamide (CID 11465681) is N-[(4-fluorophenyl)methyl]-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]naphthalene-2-carboxamide is C[C@H](Nc1cc(N(Cc2ccc(F)cc2)C(=O)c2ccc3ccccc3c2)ccn1)c1ccccc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]naphthalene-2-carboxamide?
The InChIKey is DQAVYEIGBFVCTI-QFIPXVFZSA-N. The full InChI is InChI=1S/C31H26FN3O/c1-22(24-7-3-2-4-8-24)34-30-20-29(17-18-33-30)35(21-23-11-15-28(32)16-12-23)31(36)27-14-13-25-9-5-6-10-26(25)19-27/h2-20,22H,21H2,1H3,(H,33,34)/t22-/m0/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]naphthalene-2-carboxamide?
N-[(4-fluorophenyl)methyl]-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]naphthalene-2-carboxamide has a molecular weight of 475.57 g/mol, XLogP of 7.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]naphthalene-2-carboxamide is sourced from PubChem (CID 11465681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).