N-[(3-hydroxyphenyl)methyl]-5-phenylpyridine-2-carboxamide;8-methyl-8-azabicyclo[3.2.1]octane

C27H31N3O2 — CID 143500931

IUPACN-[(3-hydroxyphenyl)methyl]-5-phenylpyridine-2-carboxamide;8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1C2CCCC1CC2.O=C(NCc1cccc(O)c1)c1ccc(-c2ccccc2)cn1
InChIInChI=1S/C19H16N2O2.C8H15N/c22-17-8-4-5-14(11-17)12-21-19(23)18-10-9-16(13-20-18)15-6-2-1-3-7-15;1-9-7-3-2-4-8(9)6-5-7/h1-11,13,22H,12H2,(H,21,23);7-8H,2-6H2,1H3
InChIKeyVVLWOYJBBIDWHY-UHFFFAOYSA-N
MW429.56 g/mol
LogP5.02
Rot. Bonds4

About N-[(3-hydroxyphenyl)methyl]-5-phenylpyridine-2-carboxamide;8-methyl-8-azabicyclo[3.2.1]octane

N-[(3-hydroxyphenyl)methyl]-5-phenylpyridine-2-carboxamide;8-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 143500931) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methyl]-5-phenylpyridine-2-carboxamide;8-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methyl]-5-phenylpyridine-2-carboxamide;8-methyl-8-azabicyclo[3.2.1]octane
PubChem CID143500931
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC NameN-[(3-hydroxyphenyl)methyl]-5-phenylpyridine-2-carboxamide;8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1C2CCCC1CC2.O=C(NCc1cccc(O)c1)c1ccc(-c2ccccc2)cn1
InChIInChI=1S/C19H16N2O2.C8H15N/c22-17-8-4-5-14(11-17)12-21-19(23)18-10-9-16(13-20-18)15-6-2-1-3-7-15;1-9-7-3-2-4-8(9)6-5-7/h1-11,13,22H,12H2,(H,21,23);7-8H,2-6H2,1H3
InChIKeyVVLWOYJBBIDWHY-UHFFFAOYSA-N
XLogP5.02
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.56
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methyl]-5-phenylpyridine-2-carboxamide;8-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of N-[(3-hydroxyphenyl)methyl]-5-phenylpyridine-2-carboxamide;8-methyl-8-azabicyclo[3.2.1]octane (CID 143500931) is N-[(3-hydroxyphenyl)methyl]-5-phenylpyridine-2-carboxamide;8-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for N-[(3-hydroxyphenyl)methyl]-5-phenylpyridine-2-carboxamide;8-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for N-[(3-hydroxyphenyl)methyl]-5-phenylpyridine-2-carboxamide;8-methyl-8-azabicyclo[3.2.1]octane is CN1C2CCCC1CC2.O=C(NCc1cccc(O)c1)c1ccc(-c2ccccc2)cn1.
What is the InChIKey of N-[(3-hydroxyphenyl)methyl]-5-phenylpyridine-2-carboxamide;8-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is VVLWOYJBBIDWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2.C8H15N/c22-17-8-4-5-14(11-17)12-21-19(23)18-10-9-16(13-20-18)15-6-2-1-3-7-15;1-9-7-3-2-4-8(9)6-5-7/h1-11,13,22H,12H2,(H,21,23);7-8H,2-6H2,1H3.
What are the key properties of N-[(3-hydroxyphenyl)methyl]-5-phenylpyridine-2-carboxamide;8-methyl-8-azabicyclo[3.2.1]octane?
N-[(3-hydroxyphenyl)methyl]-5-phenylpyridine-2-carboxamide;8-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 429.56 g/mol, XLogP of 5.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methyl]-5-phenylpyridine-2-carboxamide;8-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 143500931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).