[2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] morpholine-4-carboxylate

C18H21N7O4 — CID 164909336

IUPAC[2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] morpholine-4-carboxylate
SMILESNCC(=O)Nc1ccc(/N=N/c2ccccc2OC(=O)N2CCOCC2)c(N)n1
InChIInChI=1S/C18H21N7O4/c19-11-16(26)21-15-6-5-13(17(20)22-15)24-23-12-3-1-2-4-14(12)29-18(27)25-7-9-28-10-8-25/h1-6H,7-11,19H2,(H3,20,21,22,26)/b24-23+
InChIKeyAHXMGCGGYPHTKD-WCWDXBQESA-N
MW399.41 g/mol
LogP1.81
Rot. Bonds5

About [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] morpholine-4-carboxylate

[2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] morpholine-4-carboxylate (PubChem CID 164909336) has the molecular formula C18H21N7O4 and a molecular weight of 399.41 g/mol. Its IUPAC name is [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] morpholine-4-carboxylate
PubChem CID164909336
Molecular FormulaC18H21N7O4
Molecular Weight399.41 g/mol
Exact Mass399.17
IUPAC Name[2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] morpholine-4-carboxylate
SMILESNCC(=O)Nc1ccc(/N=N/c2ccccc2OC(=O)N2CCOCC2)c(N)n1
InChIInChI=1S/C18H21N7O4/c19-11-16(26)21-15-6-5-13(17(20)22-15)24-23-12-3-1-2-4-14(12)29-18(27)25-7-9-28-10-8-25/h1-6H,7-11,19H2,(H3,20,21,22,26)/b24-23+
InChIKeyAHXMGCGGYPHTKD-WCWDXBQESA-N
XLogP1.81
TPSA157.52 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

[2-[(6-amino-2-ethyl-3-pyridinyl)diazenyl]phenyl] 4-(1,4-oxazepan-4-yl)piperidine-1-carboxylate
CID 164908660
(2-nitrophenyl) morpholine-4-carboxylate
CID 895649
[8-(morpholine-4-carbonyloxy)naphthalen-2-yl] morpholine-4-carboxylate
CID 649992
[2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] 2-methylbutanoate;N-methylmethanamine
CID 164908820
[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] morpholine-4-carboxylate
CID 87056849
(2-aminophenyl) 4-morpholin-4-ylpiperidine-1-carboxylate;pyridine-2,3,6-triamine
CID 164908920
(2R)-2-[[2-[(2,6-diamino-3-pyridinyl)diazenyl]phenoxy]carbonylamino]-3-methylbutanoic acid
CID 164909088
(2,4-dichlorophenyl) morpholine-4-carboxylate
CID 134989455
[3-(ethoxycarbonylamino)phenyl] morpholine-4-carboxylate
CID 163714434
[3-(2-amino-6-phenylpyrimidin-4-yl)phenyl] morpholine-4-carboxylate
CID 127036830
N-(6-morpholin-4-ylpyridazin-3-yl)-2-phenylacetamide
CID 113039672
3-(2-aminophenoxy)-N-morpholin-4-ylpropanamide
CID 83013203

Frequently Asked Questions

What is the IUPAC name of [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] morpholine-4-carboxylate?
The IUPAC name of [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] morpholine-4-carboxylate (CID 164909336) is [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] morpholine-4-carboxylate.
What is the SMILES notation for [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] morpholine-4-carboxylate?
The canonical SMILES for [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] morpholine-4-carboxylate is NCC(=O)Nc1ccc(/N=N/c2ccccc2OC(=O)N2CCOCC2)c(N)n1.
What is the InChIKey of [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] morpholine-4-carboxylate?
The InChIKey is AHXMGCGGYPHTKD-WCWDXBQESA-N. The full InChI is InChI=1S/C18H21N7O4/c19-11-16(26)21-15-6-5-13(17(20)22-15)24-23-12-3-1-2-4-14(12)29-18(27)25-7-9-28-10-8-25/h1-6H,7-11,19H2,(H3,20,21,22,26)/b24-23+.
What are the key properties of [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] morpholine-4-carboxylate?
[2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] morpholine-4-carboxylate has a molecular weight of 399.41 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] morpholine-4-carboxylate is sourced from PubChem (CID 164909336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).