N-[(3,4-dihydroxyphenyl)methylideneamino]-3-methylimidazo[1,2-a]pyridine-2-carboxamide

C16H14N4O3 — CID 2473778

IUPACN-[(3,4-dihydroxyphenyl)methylideneamino]-3-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1c(C(=O)NN=Cc2ccc(O)c(O)c2)nc2ccccn12
InChIInChI=1S/C16H14N4O3/c1-10-15(18-14-4-2-3-7-20(10)14)16(23)19-17-9-11-5-6-12(21)13(22)8-11/h2-9,21-22H,1H3,(H,19,23)
InChIKeyQNVMVRKEHKGLNF-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.82
Rot. Bonds3

About N-[(3,4-dihydroxyphenyl)methylideneamino]-3-methylimidazo[1,2-a]pyridine-2-carboxamide

N-[(3,4-dihydroxyphenyl)methylideneamino]-3-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 2473778) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-[(3,4-dihydroxyphenyl)methylideneamino]-3-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dihydroxyphenyl)methylideneamino]-3-methylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID2473778
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC NameN-[(3,4-dihydroxyphenyl)methylideneamino]-3-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1c(C(=O)NN=Cc2ccc(O)c(O)c2)nc2ccccn12
InChIInChI=1S/C16H14N4O3/c1-10-15(18-14-4-2-3-7-20(10)14)16(23)19-17-9-11-5-6-12(21)13(22)8-11/h2-9,21-22H,1H3,(H,19,23)
InChIKeyQNVMVRKEHKGLNF-UHFFFAOYSA-N
XLogP1.82
TPSA99.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazo[1,2-a]pyridine-2-carboxamide
CID 6001335
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
CID 135811255
N-[(3-chlorophenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 78627381
N-[(4-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 75137621
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 6181482
N-[(3,4-dihydroxyphenyl)methylideneamino]-1-methylindole-3-carboxamide
CID 910419
4-N,5-N-bis[(3,4-dihydroxyphenyl)methylideneamino]-1H-imidazole-4,5-dicarboxamide
CID 4136570
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135544851
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide;hydrate
CID 139076968
N-[(3,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 5065376
N'-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-N-(6-methyl-2-pyridinyl)oxamide
CID 172964476
1-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-ethylthiourea
CID 135730861

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dihydroxyphenyl)methylideneamino]-3-methylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[(3,4-dihydroxyphenyl)methylideneamino]-3-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 2473778) is N-[(3,4-dihydroxyphenyl)methylideneamino]-3-methylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3,4-dihydroxyphenyl)methylideneamino]-3-methylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(3,4-dihydroxyphenyl)methylideneamino]-3-methylimidazo[1,2-a]pyridine-2-carboxamide is Cc1c(C(=O)NN=Cc2ccc(O)c(O)c2)nc2ccccn12.
What is the InChIKey of N-[(3,4-dihydroxyphenyl)methylideneamino]-3-methylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is QNVMVRKEHKGLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-10-15(18-14-4-2-3-7-20(10)14)16(23)19-17-9-11-5-6-12(21)13(22)8-11/h2-9,21-22H,1H3,(H,19,23).
What are the key properties of N-[(3,4-dihydroxyphenyl)methylideneamino]-3-methylimidazo[1,2-a]pyridine-2-carboxamide?
N-[(3,4-dihydroxyphenyl)methylideneamino]-3-methylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dihydroxyphenyl)methylideneamino]-3-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 2473778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).