4-[[4-[1-amino-2-[naphthalen-1-yl(sulfinato)amino]ethyl]benzoyl]amino]pyridine

C24H21N4O3S- — CID 68668615

IUPAC4-[[4-[1-amino-2-[naphthalen-1-yl(sulfinato)amino]ethyl]benzoyl]amino]pyridine
SMILESNC(CN(c1cccc2ccccc12)S(=O)[O-])c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C24H22N4O3S/c25-22(16-28(32(30)31)23-7-3-5-17-4-1-2-6-21(17)23)18-8-10-19(11-9-18)24(29)27-20-12-14-26-15-13-20/h1-15,22H,16,25H2,(H,30,31)(H,26,27,29)/p-1
InChIKeyUJAWXCHAZIMGTD-UHFFFAOYSA-M
MW445.52 g/mol
LogP3.79
Rot. Bonds7

About 4-[[4-[1-amino-2-[naphthalen-1-yl(sulfinato)amino]ethyl]benzoyl]amino]pyridine

4-[[4-[1-amino-2-[naphthalen-1-yl(sulfinato)amino]ethyl]benzoyl]amino]pyridine (PubChem CID 68668615) has the molecular formula C24H21N4O3S- and a molecular weight of 445.52 g/mol. Its IUPAC name is 4-[[4-[1-amino-2-[naphthalen-1-yl(sulfinato)amino]ethyl]benzoyl]amino]pyridine.

Molecular Properties

Compound Name4-[[4-[1-amino-2-[naphthalen-1-yl(sulfinato)amino]ethyl]benzoyl]amino]pyridine
PubChem CID68668615
Molecular FormulaC24H21N4O3S-
Molecular Weight445.52 g/mol
Exact Mass445.13
IUPAC Name4-[[4-[1-amino-2-[naphthalen-1-yl(sulfinato)amino]ethyl]benzoyl]amino]pyridine
SMILESNC(CN(c1cccc2ccccc12)S(=O)[O-])c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C24H22N4O3S/c25-22(16-28(32(30)31)23-7-3-5-17-4-1-2-6-21(17)23)18-8-10-19(11-9-18)24(29)27-20-12-14-26-15-13-20/h1-15,22H,16,25H2,(H,30,31)(H,26,27,29)/p-1
InChIKeyUJAWXCHAZIMGTD-UHFFFAOYSA-M
XLogP3.79
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

4-[1-amino-2-[methyl-(2-naphthalen-1-ylacetyl)amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67537423
4-(1,3-diamino-3-oxopropyl)-N-pyridin-4-ylbenzamide
CID 67536779
4-[1-amino-2-[benzenesulfonyl(methyl)amino]ethyl]-N-pyridin-4-ylbenzamide;dihydrochloride
CID 68668401
4-[1-amino-2-[(4-phenylphenyl)carbamoylamino]ethyl]-N-pyridin-4-ylbenzamide
CID 15982238
4-[1-amino-2-[methyl-[2-(4-methylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67536439
4-[1-amino-3-[(4-methylphenyl)methylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide
CID 67536660
4-(1-amino-2-anilino-2-oxoethyl)-N-pyridin-4-ylbenzamide
CID 15982114
4-[1-amino-2-[sulfanyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]-N-pyridin-4-ylbenzamide
CID 87436838
4-[(1S)-1-amino-3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide;dihydrochloride
CID 67536089
4-[1-amino-2-[methyl-[2-(4-nitrophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67535651
4-[1-amino-2-[(2-pyridin-4-ylacetyl)amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67536954
4-[1-amino-3-[benzyl(trifluoromethyl)amino]-3-oxopropyl]-N-pyridin-4-ylbenzamide
CID 67536790

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[1-amino-2-[naphthalen-1-yl(sulfinato)amino]ethyl]benzoyl]amino]pyridine?
The IUPAC name of 4-[[4-[1-amino-2-[naphthalen-1-yl(sulfinato)amino]ethyl]benzoyl]amino]pyridine (CID 68668615) is 4-[[4-[1-amino-2-[naphthalen-1-yl(sulfinato)amino]ethyl]benzoyl]amino]pyridine.
What is the SMILES notation for 4-[[4-[1-amino-2-[naphthalen-1-yl(sulfinato)amino]ethyl]benzoyl]amino]pyridine?
The canonical SMILES for 4-[[4-[1-amino-2-[naphthalen-1-yl(sulfinato)amino]ethyl]benzoyl]amino]pyridine is NC(CN(c1cccc2ccccc12)S(=O)[O-])c1ccc(C(=O)Nc2ccncc2)cc1.
What is the InChIKey of 4-[[4-[1-amino-2-[naphthalen-1-yl(sulfinato)amino]ethyl]benzoyl]amino]pyridine?
The InChIKey is UJAWXCHAZIMGTD-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H22N4O3S/c25-22(16-28(32(30)31)23-7-3-5-17-4-1-2-6-21(17)23)18-8-10-19(11-9-18)24(29)27-20-12-14-26-15-13-20/h1-15,22H,16,25H2,(H,30,31)(H,26,27,29)/p-1.
What are the key properties of 4-[[4-[1-amino-2-[naphthalen-1-yl(sulfinato)amino]ethyl]benzoyl]amino]pyridine?
4-[[4-[1-amino-2-[naphthalen-1-yl(sulfinato)amino]ethyl]benzoyl]amino]pyridine has a molecular weight of 445.52 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[1-amino-2-[naphthalen-1-yl(sulfinato)amino]ethyl]benzoyl]amino]pyridine is sourced from PubChem (CID 68668615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).