N-[(2S)-1-oxo-3-phenyl-1-(2H-triazol-4-ylmethylamino)propan-2-yl]naphthalene-2-carboxamide

C23H21N5O2 — CID 134943953

IUPACN-[(2S)-1-oxo-3-phenyl-1-(2H-triazol-4-ylmethylamino)propan-2-yl]naphthalene-2-carboxamide
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)NCc1cn[nH]n1)c1ccc2ccccc2c1
InChIInChI=1S/C23H21N5O2/c29-22(19-11-10-17-8-4-5-9-18(17)13-19)26-21(12-16-6-2-1-3-7-16)23(30)24-14-20-15-25-28-27-20/h1-11,13,15,21H,12,14H2,(H,24,30)(H,26,29)(H,25,27,28)/t21-/m0/s1
InChIKeyCMTUEUYSXGIJAE-NRFANRHFSA-N
MW399.45 g/mol
LogP2.62
Rot. Bonds7

About N-[(2S)-1-oxo-3-phenyl-1-(2H-triazol-4-ylmethylamino)propan-2-yl]naphthalene-2-carboxamide

N-[(2S)-1-oxo-3-phenyl-1-(2H-triazol-4-ylmethylamino)propan-2-yl]naphthalene-2-carboxamide (PubChem CID 134943953) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[(2S)-1-oxo-3-phenyl-1-(2H-triazol-4-ylmethylamino)propan-2-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-3-phenyl-1-(2H-triazol-4-ylmethylamino)propan-2-yl]naphthalene-2-carboxamide
PubChem CID134943953
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC NameN-[(2S)-1-oxo-3-phenyl-1-(2H-triazol-4-ylmethylamino)propan-2-yl]naphthalene-2-carboxamide
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)NCc1cn[nH]n1)c1ccc2ccccc2c1
InChIInChI=1S/C23H21N5O2/c29-22(19-11-10-17-8-4-5-9-18(17)13-19)26-21(12-16-6-2-1-3-7-16)23(30)24-14-20-15-25-28-27-20/h1-11,13,15,21H,12,14H2,(H,24,30)(H,26,29)(H,25,27,28)/t21-/m0/s1
InChIKeyCMTUEUYSXGIJAE-NRFANRHFSA-N
XLogP2.62
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-oxo-3-phenyl-1-(2-propan-2-ylidenehydrazinyl)propan-2-yl]naphthalene-2-carboxamide
CID 122529662
N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17475548
N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]benzamide
CID 2972339
N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]pyridine-3-carboxamide
CID 45371355
(2R)-3-(3-methylphenyl)-2-(naphthalene-2-carbonylamino)propanoic acid
CID 46884012
N-[(2S)-1-[(3-chlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 7478462
N-[(2S)-1-(4-fluorophenyl)-3-oxo-7-phenylheptan-2-yl]naphthalene-2-carboxamide
CID 161200705
N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-6-fluoronaphthalene-2-carboxamide;N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]naphthalene-2-carboxamide;N-[3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]naphthalene-2-carboxamide;N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-4-phenylbenzamide;N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-3-phenyl-1H-indazole-6-carboxamide
CID 163995921
N-[(2S)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]pyridine-3-carboxamide
CID 42534610
N-[1-[(4-chlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 43010106
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]anthracene-2-carboxamide
CID 101341857
(2S)-2-benzamido-3-naphthalen-2-ylpropanoic acid
CID 18652421

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-3-phenyl-1-(2H-triazol-4-ylmethylamino)propan-2-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[(2S)-1-oxo-3-phenyl-1-(2H-triazol-4-ylmethylamino)propan-2-yl]naphthalene-2-carboxamide (CID 134943953) is N-[(2S)-1-oxo-3-phenyl-1-(2H-triazol-4-ylmethylamino)propan-2-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-oxo-3-phenyl-1-(2H-triazol-4-ylmethylamino)propan-2-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(2S)-1-oxo-3-phenyl-1-(2H-triazol-4-ylmethylamino)propan-2-yl]naphthalene-2-carboxamide is O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1cn[nH]n1)c1ccc2ccccc2c1.
What is the InChIKey of N-[(2S)-1-oxo-3-phenyl-1-(2H-triazol-4-ylmethylamino)propan-2-yl]naphthalene-2-carboxamide?
The InChIKey is CMTUEUYSXGIJAE-NRFANRHFSA-N. The full InChI is InChI=1S/C23H21N5O2/c29-22(19-11-10-17-8-4-5-9-18(17)13-19)26-21(12-16-6-2-1-3-7-16)23(30)24-14-20-15-25-28-27-20/h1-11,13,15,21H,12,14H2,(H,24,30)(H,26,29)(H,25,27,28)/t21-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-3-phenyl-1-(2H-triazol-4-ylmethylamino)propan-2-yl]naphthalene-2-carboxamide?
N-[(2S)-1-oxo-3-phenyl-1-(2H-triazol-4-ylmethylamino)propan-2-yl]naphthalene-2-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 2.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-3-phenyl-1-(2H-triazol-4-ylmethylamino)propan-2-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 134943953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).