(2S)-2-naphthalen-1-yloxy-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide

C19H17N3O2 — CID 5393557

IUPAC(2S)-2-naphthalen-1-yloxy-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide
SMILESC[C@H](Oc1cccc2ccccc12)C(=O)N/N=C\c1cccnc1
InChIInChI=1S/C19H17N3O2/c1-14(19(23)22-21-13-15-6-5-11-20-12-15)24-18-10-4-8-16-7-2-3-9-17(16)18/h2-14H,1H3,(H,22,23)/b21-13-/t14-/m0/s1
InChIKeyNGQHFFROJROKFO-DTHVTWRFSA-N
MW319.36 g/mol
LogP3.15
Rot. Bonds5

About (2S)-2-naphthalen-1-yloxy-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide

(2S)-2-naphthalen-1-yloxy-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide (PubChem CID 5393557) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is (2S)-2-naphthalen-1-yloxy-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide.

Molecular Properties

Compound Name(2S)-2-naphthalen-1-yloxy-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide
PubChem CID5393557
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name(2S)-2-naphthalen-1-yloxy-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide
SMILESC[C@H](Oc1cccc2ccccc12)C(=O)N/N=C\c1cccnc1
InChIInChI=1S/C19H17N3O2/c1-14(19(23)22-21-13-15-6-5-11-20-12-15)24-18-10-4-8-16-7-2-3-9-17(16)18/h2-14H,1H3,(H,22,23)/b21-13-/t14-/m0/s1
InChIKeyNGQHFFROJROKFO-DTHVTWRFSA-N
XLogP3.15
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[(Z)-pyridin-3-ylmethylideneamino]-2-quinolin-8-yloxypropanamide
CID 40543766
(2R)-N-[(Z)-naphthalen-2-ylmethylideneamino]-2-naphthalen-1-yloxypropanamide
CID 7039270
2-[4-[(2-naphthalen-1-yloxypropanoylhydrazinylidene)methyl]phenoxy]acetic acid
CID 3364097
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-naphthalen-1-yloxypropanamide
CID 56694783
N-[(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-1-yloxypropanamide
CID 2852741
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-yloxypropanamide
CID 5335057
(2S)-2-amino-3-hydroxy-N-(pyridin-3-ylmethylideneamino)propanamide
CID 172842868
(2S)-2-naphthalen-1-yloxy-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide
CID 129439552
[2-[(E)-(2-naphthalen-1-yloxypropanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 45055338
1-hydroxy-N-[(Z)-pyridin-3-ylmethylideneamino]naphthalene-2-carboxamide
CID 5412473
(2R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxypropanamide
CID 135726830
N-hydroxy-2-isoquinolin-8-yloxypropanamide
CID 82580468

Frequently Asked Questions

What is the IUPAC name of (2S)-2-naphthalen-1-yloxy-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide?
The IUPAC name of (2S)-2-naphthalen-1-yloxy-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide (CID 5393557) is (2S)-2-naphthalen-1-yloxy-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide.
What is the SMILES notation for (2S)-2-naphthalen-1-yloxy-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide?
The canonical SMILES for (2S)-2-naphthalen-1-yloxy-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide is C[C@H](Oc1cccc2ccccc12)C(=O)N/N=C\c1cccnc1.
What is the InChIKey of (2S)-2-naphthalen-1-yloxy-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide?
The InChIKey is NGQHFFROJROKFO-DTHVTWRFSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-14(19(23)22-21-13-15-6-5-11-20-12-15)24-18-10-4-8-16-7-2-3-9-17(16)18/h2-14H,1H3,(H,22,23)/b21-13-/t14-/m0/s1.
What are the key properties of (2S)-2-naphthalen-1-yloxy-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide?
(2S)-2-naphthalen-1-yloxy-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide has a molecular weight of 319.36 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-naphthalen-1-yloxy-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide is sourced from PubChem (CID 5393557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).