N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide

C22H21N3O3 — CID 47064659

IUPACN-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide
SMILESO=C(CCc1ccccc1O)NCc1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C22H21N3O3/c26-20-7-2-1-5-17(20)8-9-21(27)24-15-16-4-3-6-19(14-16)25-22(28)18-10-12-23-13-11-18/h1-7,10-14,26H,8-9,15H2,(H,24,27)(H,25,28)
InChIKeyVDIDTCQNBMONOI-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.29
Rot. Bonds7

About N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide

N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide (PubChem CID 47064659) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide
PubChem CID47064659
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide
SMILESO=C(CCc1ccccc1O)NCc1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C22H21N3O3/c26-20-7-2-1-5-17(20)8-9-21(27)24-15-16-4-3-6-19(14-16)25-22(28)18-10-12-23-13-11-18/h1-7,10-14,26H,8-9,15H2,(H,24,27)(H,25,28)
InChIKeyVDIDTCQNBMONOI-UHFFFAOYSA-N
XLogP3.29
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]benzamide
CID 51121607
N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411
N-[3-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 47064649
N-[3-[(4-aminopentanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
CID 120564934
N-[3-[[(3-hydroxynaphthalene-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903332
N-[3-(3-phenylpropanoylamino)phenyl]pyridine-4-carboxamide
CID 17222895
N-[3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903588
N-benzyl-3-(2-hydroxyphenyl)propanamide
CID 3438013
N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926276
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
1-[2-oxo-2-[[3-(pyridine-4-carbonylamino)phenyl]methylamino]ethyl]cyclobutane-1-carboxylic acid
CID 120549546
3-fluoro-N-[3-[(3-pyridin-3-ylpropanoylamino)methyl]phenyl]benzamide
CID 47063746

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide (CID 47064659) is N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide is O=C(CCc1ccccc1O)NCc1cccc(NC(=O)c2ccncc2)c1.
What is the InChIKey of N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide?
The InChIKey is VDIDTCQNBMONOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c26-20-7-2-1-5-17(20)8-9-21(27)24-15-16-4-3-6-19(14-16)25-22(28)18-10-12-23-13-11-18/h1-7,10-14,26H,8-9,15H2,(H,24,27)(H,25,28).
What are the key properties of N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide?
N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 47064659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).