N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-pyridin-3-yloxybenzamide

C21H19N3O3 — CID 49083866

IUPACN-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-pyridin-3-yloxybenzamide
SMILESNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C21H19N3O3/c22-20(25)19(13-15-5-2-1-3-6-15)24-21(26)16-8-10-17(11-9-16)27-18-7-4-12-23-14-18/h1-12,14,19H,13H2,(H2,22,25)(H,24,26)
InChIKeyWDCHFOFPVBRXCG-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.70
Rot. Bonds7

About N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-pyridin-3-yloxybenzamide

N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-pyridin-3-yloxybenzamide (PubChem CID 49083866) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-pyridin-3-yloxybenzamide.

Molecular Properties

Compound NameN-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-pyridin-3-yloxybenzamide
PubChem CID49083866
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-pyridin-3-yloxybenzamide
SMILESNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C21H19N3O3/c22-20(25)19(13-15-5-2-1-3-6-15)24-21(26)16-8-10-17(11-9-16)27-18-7-4-12-23-14-18/h1-12,14,19H,13H2,(H2,22,25)(H,24,26)
InChIKeyWDCHFOFPVBRXCG-UHFFFAOYSA-N
XLogP2.70
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]phenoxy]benzamide
CID 56548245
1-N,4-N-bis[1-amino-1-oxo-3-[4-(2-phenylethoxy)phenyl]propan-2-yl]benzene-1,4-dicarboxamide
CID 102065474
N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]benzamide
CID 2972339
methyl 2-[[4-[(4-phenoxyphenyl)methoxy]benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 77216139
1-N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-N-[1-amino-1-oxo-3-[4-(2-phenylethoxy)phenyl]propan-2-yl]benzene-1,4-dicarboxamide
CID 102065478
N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]pyridine-3-carboxamide
CID 45371355
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[5-(3,4-dichlorophenyl)-2-pyridin-3-yl-1,3-oxazol-4-yl]benzamide
CID 71099933
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(quinolin-8-yloxymethyl)benzamide
CID 5000225
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(difluoromethylsulfanyl)benzamide
CID 48731808
4-pyridin-3-yloxybenzoic acid
CID 22261667
methyl 2-amino-3-(4-pyridin-3-yloxyphenyl)propanoate
CID 24730209
N-(1-amino-1-oxopropan-2-yl)-4-phenoxybenzamide
CID 141018684

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-pyridin-3-yloxybenzamide?
The IUPAC name of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-pyridin-3-yloxybenzamide (CID 49083866) is N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-pyridin-3-yloxybenzamide.
What is the SMILES notation for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-pyridin-3-yloxybenzamide?
The canonical SMILES for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-pyridin-3-yloxybenzamide is NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(Oc2cccnc2)cc1.
What is the InChIKey of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-pyridin-3-yloxybenzamide?
The InChIKey is WDCHFOFPVBRXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c22-20(25)19(13-15-5-2-1-3-6-15)24-21(26)16-8-10-17(11-9-16)27-18-7-4-12-23-14-18/h1-12,14,19H,13H2,(H2,22,25)(H,24,26).
What are the key properties of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-pyridin-3-yloxybenzamide?
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-pyridin-3-yloxybenzamide has a molecular weight of 361.40 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-pyridin-3-yloxybenzamide is sourced from PubChem (CID 49083866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).