N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1,6-naphthyridine-2-carboxamide

C18H16N4O3 — CID 16730972

IUPACN-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1,6-naphthyridine-2-carboxamide
SMILESNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc2cnccc2n1
InChIInChI=1S/C18H16N4O3/c19-17(24)16(9-11-1-4-13(23)5-2-11)22-18(25)15-6-3-12-10-20-8-7-14(12)21-15/h1-8,10,16,23H,9H2,(H2,19,24)(H,22,25)/t16-/m0/s1
InChIKeyZVJQDHCPIJKDBW-INIZCTEOSA-N
MW336.35 g/mol
LogP1.16
Rot. Bonds5

About N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1,6-naphthyridine-2-carboxamide

N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1,6-naphthyridine-2-carboxamide (PubChem CID 16730972) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1,6-naphthyridine-2-carboxamide
PubChem CID16730972
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC NameN-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1,6-naphthyridine-2-carboxamide
SMILESNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc2cnccc2n1
InChIInChI=1S/C18H16N4O3/c19-17(24)16(9-11-1-4-13(23)5-2-11)22-18(25)15-6-3-12-10-20-8-7-14(12)21-15/h1-8,10,16,23H,9H2,(H2,19,24)(H,22,25)/t16-/m0/s1
InChIKeyZVJQDHCPIJKDBW-INIZCTEOSA-N
XLogP1.16
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1,6-naphthyridine-2-carboxamide
CID 73314123
N-[(1R)-1-phenylpropyl]-1,6-naphthyridine-2-carboxamide
CID 16731063
N-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-6-morpholin-4-ylpyridine-2-carboxamide
CID 171688836
N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-(1-amino-2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 3352343
2-hydrazinyl-3-(4-hydroxyphenyl)propanamide
CID 144742434
3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)propanoylamino]propanamide
CID 71080092
methyl 3-(4-hydroxyphenyl)-2-(pyridine-3-carbonylamino)propanoate
CID 67326276
N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-methylprop-2-enamide
CID 19980707
1,6-naphthyridine-2-carboxylic acid;hydrochloride
CID 170943375
2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)propanamide
CID 4667426
(2S)-2-[(2-acetamidoacetyl)amino]-3-(4-hydroxyphenyl)propanamide
CID 172868534
(2S)-3-(4-hydroxyphenyl)-2-(1,2,5-thiadiazole-3-carbonylamino)propanoic acid
CID 61152385

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1,6-naphthyridine-2-carboxamide (CID 16730972) is N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1,6-naphthyridine-2-carboxamide is NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc2cnccc2n1.
What is the InChIKey of N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1,6-naphthyridine-2-carboxamide?
The InChIKey is ZVJQDHCPIJKDBW-INIZCTEOSA-N. The full InChI is InChI=1S/C18H16N4O3/c19-17(24)16(9-11-1-4-13(23)5-2-11)22-18(25)15-6-3-12-10-20-8-7-14(12)21-15/h1-8,10,16,23H,9H2,(H2,19,24)(H,22,25)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1,6-naphthyridine-2-carboxamide?
N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1,6-naphthyridine-2-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 16730972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).