2-[(Z)-1-amino-2-hydrazinylethenyl]-N-benzhydryl-4-oxoazetidine-1-carboxamide;4-methylpyridin-2-amine

C25H29N7O2 — CID 144899680

IUPAC2-[(Z)-1-amino-2-hydrazinylethenyl]-N-benzhydryl-4-oxoazetidine-1-carboxamide;4-methylpyridin-2-amine
SMILESCc1ccnc(N)c1.NN/C=C(\N)C1CC(=O)N1C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21N5O2.C6H8N2/c20-15(12-22-21)16-11-17(25)24(16)19(26)23-18(13-7-3-1-4-8-13)14-9-5-2-6-10-14;1-5-2-3-8-6(7)4-5/h1-10,12,16,18,22H,11,20-21H2,(H,23,26);2-4H,1H3,(H2,7,8)/b15-12-;
InChIKeyMSIGCQFKSXREAS-OBBOLZQKSA-N
MW459.55 g/mol
LogP2.32
Rot. Bonds5

About 2-[(Z)-1-amino-2-hydrazinylethenyl]-N-benzhydryl-4-oxoazetidine-1-carboxamide;4-methylpyridin-2-amine

2-[(Z)-1-amino-2-hydrazinylethenyl]-N-benzhydryl-4-oxoazetidine-1-carboxamide;4-methylpyridin-2-amine (PubChem CID 144899680) has the molecular formula C25H29N7O2 and a molecular weight of 459.55 g/mol. Its IUPAC name is 2-[(Z)-1-amino-2-hydrazinylethenyl]-N-benzhydryl-4-oxoazetidine-1-carboxamide;4-methylpyridin-2-amine.

Molecular Properties

Compound Name2-[(Z)-1-amino-2-hydrazinylethenyl]-N-benzhydryl-4-oxoazetidine-1-carboxamide;4-methylpyridin-2-amine
PubChem CID144899680
Molecular FormulaC25H29N7O2
Molecular Weight459.55 g/mol
Exact Mass459.24
IUPAC Name2-[(Z)-1-amino-2-hydrazinylethenyl]-N-benzhydryl-4-oxoazetidine-1-carboxamide;4-methylpyridin-2-amine
SMILESCc1ccnc(N)c1.NN/C=C(\N)C1CC(=O)N1C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21N5O2.C6H8N2/c20-15(12-22-21)16-11-17(25)24(16)19(26)23-18(13-7-3-1-4-8-13)14-9-5-2-6-10-14;1-5-2-3-8-6(7)4-5/h1-10,12,16,18,22H,11,20-21H2,(H,23,26);2-4H,1H3,(H2,7,8)/b15-12-;
InChIKeyMSIGCQFKSXREAS-OBBOLZQKSA-N
XLogP2.32
TPSA152.39 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 52.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-[(Z)-1-amino-2-hydrazinylethenyl]-N-benzhydryl-4-oxoazetidine-1-carboxamide
CID 144899681
1-[1-(3,4-difluorophenyl)ethylcarbamoyl]-4-oxoazetidine-2-carboxylic acid;ethane;4-methylpyridin-2-amine
CID 144899655
1-N-(1-cyclohexylethyl)-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide;4-methylpyridin-2-amine
CID 142386743
2-[(Z)-1,2-diaminoethenyl]-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide
CID 174176847
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-benzhydryl-4-oxoazetidine-1,2-dicarboxamide
CID 118299696
(2R,3S)-3-[(2-amino-4-pyridinyl)methyl]-N-benzhydryl-2-methylsulfonyl-4-oxoazetidine-1-carboxamide
CID 118303472
(2S,3R)-3-[2-(2-amino-4-pyridinyl)ethyl]-1-(benzhydrylcarbamoyl)-4-oxoazetidine-2-carboxylic acid
CID 118299484
N-benzhydryl-2-(difluoromethyl)-4-oxoazetidine-1-carboxamide
CID 144899971
1-N-(1-cyclohexylpropyl)-2-N-(3,5-dichlorophenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;4-methylpyridin-2-amine
CID 142386662
ethane;N-(3-ethylhexan-2-yl)formamide;1-methyl-4-oxoazetidine-2-carboxylic acid;4-methylpyridin-2-amine
CID 154666033
3-[(2-amino-4-pyridinyl)methyl]-2-methanimidoyl-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide
CID 123823658
3-[(2-amino-4-pyridinyl)methyl]-2-(difluoromethyl)-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide
CID 123223617

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-amino-2-hydrazinylethenyl]-N-benzhydryl-4-oxoazetidine-1-carboxamide;4-methylpyridin-2-amine?
The IUPAC name of 2-[(Z)-1-amino-2-hydrazinylethenyl]-N-benzhydryl-4-oxoazetidine-1-carboxamide;4-methylpyridin-2-amine (CID 144899680) is 2-[(Z)-1-amino-2-hydrazinylethenyl]-N-benzhydryl-4-oxoazetidine-1-carboxamide;4-methylpyridin-2-amine.
What is the SMILES notation for 2-[(Z)-1-amino-2-hydrazinylethenyl]-N-benzhydryl-4-oxoazetidine-1-carboxamide;4-methylpyridin-2-amine?
The canonical SMILES for 2-[(Z)-1-amino-2-hydrazinylethenyl]-N-benzhydryl-4-oxoazetidine-1-carboxamide;4-methylpyridin-2-amine is Cc1ccnc(N)c1.NN/C=C(\N)C1CC(=O)N1C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(Z)-1-amino-2-hydrazinylethenyl]-N-benzhydryl-4-oxoazetidine-1-carboxamide;4-methylpyridin-2-amine?
The InChIKey is MSIGCQFKSXREAS-OBBOLZQKSA-N. The full InChI is InChI=1S/C19H21N5O2.C6H8N2/c20-15(12-22-21)16-11-17(25)24(16)19(26)23-18(13-7-3-1-4-8-13)14-9-5-2-6-10-14;1-5-2-3-8-6(7)4-5/h1-10,12,16,18,22H,11,20-21H2,(H,23,26);2-4H,1H3,(H2,7,8)/b15-12-;.
What are the key properties of 2-[(Z)-1-amino-2-hydrazinylethenyl]-N-benzhydryl-4-oxoazetidine-1-carboxamide;4-methylpyridin-2-amine?
2-[(Z)-1-amino-2-hydrazinylethenyl]-N-benzhydryl-4-oxoazetidine-1-carboxamide;4-methylpyridin-2-amine has a molecular weight of 459.55 g/mol, XLogP of 2.32, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-amino-2-hydrazinylethenyl]-N-benzhydryl-4-oxoazetidine-1-carboxamide;4-methylpyridin-2-amine is sourced from PubChem (CID 144899680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).