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

C22H22FN3O — CID 46886501

IUPACN-[(4-fluorophenyl)methyl]-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]acetamide
SMILESCC(=O)N(Cc1ccc(F)cc1)c1ccnc(N[C@@H](C)c2ccccc2)c1
InChIInChI=1S/C22H22FN3O/c1-16(19-6-4-3-5-7-19)25-22-14-21(12-13-24-22)26(17(2)27)15-18-8-10-20(23)11-9-18/h3-14,16H,15H2,1-2H3,(H,24,25)/t16-/m0/s1
InChIKeyVSSLTUPGEIFCOR-INIZCTEOSA-N
MW363.44 g/mol
LogP4.95
Rot. Bonds6

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

N-[(4-fluorophenyl)methyl]-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]acetamide (PubChem CID 46886501) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]acetamide
PubChem CID46886501
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC NameN-[(4-fluorophenyl)methyl]-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]acetamide
SMILESCC(=O)N(Cc1ccc(F)cc1)c1ccnc(N[C@@H](C)c2ccccc2)c1
InChIInChI=1S/C22H22FN3O/c1-16(19-6-4-3-5-7-19)25-22-14-21(12-13-24-22)26(17(2)27)15-18-8-10-20(23)11-9-18/h3-14,16H,15H2,1-2H3,(H,24,25)/t16-/m0/s1
InChIKeyVSSLTUPGEIFCOR-INIZCTEOSA-N
XLogP4.95
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.95
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]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]acetamide (CID 46886501) is N-[(4-fluorophenyl)methyl]-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]acetamide is CC(=O)N(Cc1ccc(F)cc1)c1ccnc(N[C@@H](C)c2ccccc2)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]acetamide?
The InChIKey is VSSLTUPGEIFCOR-INIZCTEOSA-N. The full InChI is InChI=1S/C22H22FN3O/c1-16(19-6-4-3-5-7-19)25-22-14-21(12-13-24-22)26(17(2)27)15-18-8-10-20(23)11-9-18/h3-14,16H,15H2,1-2H3,(H,24,25)/t16-/m0/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]acetamide?
N-[(4-fluorophenyl)methyl]-N-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]acetamide has a molecular weight of 363.44 g/mol, XLogP of 4.95, 6 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]acetamide is sourced from PubChem (CID 46886501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).