3-[(2-amino-4-pyridinyl)methyl]-4-hydroxy-1-[hydroxy-(1-pyridin-3-ylethylamino)methyl]-4-methylazetidine-2-carboxylic acid

C19H25N5O4 — CID 123372444

IUPAC3-[(2-amino-4-pyridinyl)methyl]-4-hydroxy-1-[hydroxy-(1-pyridin-3-ylethylamino)methyl]-4-methylazetidine-2-carboxylic acid
SMILESCC(NC(O)N1C(C(=O)O)C(Cc2ccnc(N)c2)C1(C)O)c1cccnc1
InChIInChI=1S/C19H25N5O4/c1-11(13-4-3-6-21-10-13)23-18(27)24-16(17(25)26)14(19(24,2)28)8-12-5-7-22-15(20)9-12/h3-7,9-11,14,16,18,23,27-28H,8H2,1-2H3,(H2,20,22)(H,25,26)
InChIKeyAMZYLEZZWDXDQC-UHFFFAOYSA-N
MW387.44 g/mol
LogP0.32
Rot. Bonds7

About 3-[(2-amino-4-pyridinyl)methyl]-4-hydroxy-1-[hydroxy-(1-pyridin-3-ylethylamino)methyl]-4-methylazetidine-2-carboxylic acid

3-[(2-amino-4-pyridinyl)methyl]-4-hydroxy-1-[hydroxy-(1-pyridin-3-ylethylamino)methyl]-4-methylazetidine-2-carboxylic acid (PubChem CID 123372444) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-[(2-amino-4-pyridinyl)methyl]-4-hydroxy-1-[hydroxy-(1-pyridin-3-ylethylamino)methyl]-4-methylazetidine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-amino-4-pyridinyl)methyl]-4-hydroxy-1-[hydroxy-(1-pyridin-3-ylethylamino)methyl]-4-methylazetidine-2-carboxylic acid
PubChem CID123372444
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC Name3-[(2-amino-4-pyridinyl)methyl]-4-hydroxy-1-[hydroxy-(1-pyridin-3-ylethylamino)methyl]-4-methylazetidine-2-carboxylic acid
SMILESCC(NC(O)N1C(C(=O)O)C(Cc2ccnc(N)c2)C1(C)O)c1cccnc1
InChIInChI=1S/C19H25N5O4/c1-11(13-4-3-6-21-10-13)23-18(27)24-16(17(25)26)14(19(24,2)28)8-12-5-7-22-15(20)9-12/h3-7,9-11,14,16,18,23,27-28H,8H2,1-2H3,(H2,20,22)(H,25,26)
InChIKeyAMZYLEZZWDXDQC-UHFFFAOYSA-N
XLogP0.32
TPSA144.83 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 50.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-[(2-amino-4-pyridinyl)methyl]-4-hydroxy-1-[hydroxy-(1-pyridin-3-ylethylamino)methyl]-4-methylazetidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1R,2R)-2-[(2-amino-4-pyridinyl)methyl]-3-oxo-4-(1-pyridin-3-ylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 126555218
(2S)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[[(1R)-1-pyrimidin-5-ylethyl]carbamoyl]azetidine-2-carboxylic acid
CID 126555424
ethyl 3-[(2-amino-4-pyridinyl)methyl]-1-[[1-cyclohexylethyl(methyl)amino]-hydroxymethyl]-4-hydroxy-4-methylazetidine-2-carboxylate
CID 123926138
3-[(2-amino-4-pyridinyl)methyl]-1-[hydroxy-[1-(2-methyl-2,3-dihydropyridin-5-yl)ethylamino]methyl]-4-oxoazetidine-2-carboxylic acid
CID 123948356
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-methyl-4-oxo-2-N-phenyl-1-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]azetidine-1,2-dicarboxamide
CID 135168980
3-[(2-amino-4-pyridinyl)methyl]-1-(1-isoquinolin-4-ylethylcarbamoyl)-4-oxoazetidine-2-carboxylic acid
CID 123788534
3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-(1-quinolin-3-ylethylcarbamoyl)azetidine-2-carboxylic acid
CID 123522732
1-(aminomethyl)-N-[(1S)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide
CID 115453576
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1R)-1-(3,4-difluorophenyl)ethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid
CID 118299513
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
benzyl (2S)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[[(1R)-1-phenylethyl]carbamoyl]azetidine-2-carboxylate
CID 126557070

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-4-pyridinyl)methyl]-4-hydroxy-1-[hydroxy-(1-pyridin-3-ylethylamino)methyl]-4-methylazetidine-2-carboxylic acid?
The IUPAC name of 3-[(2-amino-4-pyridinyl)methyl]-4-hydroxy-1-[hydroxy-(1-pyridin-3-ylethylamino)methyl]-4-methylazetidine-2-carboxylic acid (CID 123372444) is 3-[(2-amino-4-pyridinyl)methyl]-4-hydroxy-1-[hydroxy-(1-pyridin-3-ylethylamino)methyl]-4-methylazetidine-2-carboxylic acid.
What is the SMILES notation for 3-[(2-amino-4-pyridinyl)methyl]-4-hydroxy-1-[hydroxy-(1-pyridin-3-ylethylamino)methyl]-4-methylazetidine-2-carboxylic acid?
The canonical SMILES for 3-[(2-amino-4-pyridinyl)methyl]-4-hydroxy-1-[hydroxy-(1-pyridin-3-ylethylamino)methyl]-4-methylazetidine-2-carboxylic acid is CC(NC(O)N1C(C(=O)O)C(Cc2ccnc(N)c2)C1(C)O)c1cccnc1.
What is the InChIKey of 3-[(2-amino-4-pyridinyl)methyl]-4-hydroxy-1-[hydroxy-(1-pyridin-3-ylethylamino)methyl]-4-methylazetidine-2-carboxylic acid?
The InChIKey is AMZYLEZZWDXDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-11(13-4-3-6-21-10-13)23-18(27)24-16(17(25)26)14(19(24,2)28)8-12-5-7-22-15(20)9-12/h3-7,9-11,14,16,18,23,27-28H,8H2,1-2H3,(H2,20,22)(H,25,26).
What are the key properties of 3-[(2-amino-4-pyridinyl)methyl]-4-hydroxy-1-[hydroxy-(1-pyridin-3-ylethylamino)methyl]-4-methylazetidine-2-carboxylic acid?
3-[(2-amino-4-pyridinyl)methyl]-4-hydroxy-1-[hydroxy-(1-pyridin-3-ylethylamino)methyl]-4-methylazetidine-2-carboxylic acid has a molecular weight of 387.44 g/mol, XLogP of 0.32, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-4-pyridinyl)methyl]-4-hydroxy-1-[hydroxy-(1-pyridin-3-ylethylamino)methyl]-4-methylazetidine-2-carboxylic acid is sourced from PubChem (CID 123372444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).