N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-6-methylpyridine-3-carboxamide

C18H18N4O2 — CID 935067

IUPACN-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)/N=N/c2c(O)n(C(C)C)c3ccccc23)cn1
InChIInChI=1S/C18H18N4O2/c1-11(2)22-15-7-5-4-6-14(15)16(18(22)24)20-21-17(23)13-9-8-12(3)19-10-13/h4-11,24H,1-3H3/b21-20+
InChIKeyGYSVCWLOEKBDLO-QZQOTICOSA-N
MW322.37 g/mol
LogP4.56
Rot. Bonds3

About N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-6-methylpyridine-3-carboxamide

N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-6-methylpyridine-3-carboxamide (PubChem CID 935067) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-6-methylpyridine-3-carboxamide
PubChem CID935067
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)/N=N/c2c(O)n(C(C)C)c3ccccc23)cn1
InChIInChI=1S/C18H18N4O2/c1-11(2)22-15-7-5-4-6-14(15)16(18(22)24)20-21-17(23)13-9-8-12(3)19-10-13/h4-11,24H,1-3H3/b21-20+
InChIKeyGYSVCWLOEKBDLO-QZQOTICOSA-N
XLogP4.56
TPSA79.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-[(4-ethoxyphenoxy)methyl]-N-(2-hydroxy-1-propan-2-ylindol-3-yl)iminobenzamide
CID 3515590
N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-methyl-4-oxophthalazine-1-carboxamide
CID 135582442
N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-phenylacetamide
CID 726771
1-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-methylthiourea
CID 3947089
N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-5-(phenoxymethyl)furan-2-carboxamide
CID 135725844
3-benzyl-N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-4-oxophthalazine-1-carboxamide
CID 3350383
N-(1-ethyl-2-hydroxyindol-3-yl)imino-6-(hydroxyiminomethyl)pyridine-3-carboxamide
CID 135441894
4-chloro-3-[(2-hydroxy-1-propan-2-ylindol-3-yl)diazenyl]benzoic acid
CID 135846205
N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-(1-methylpyrrol-2-yl)acetamide
CID 135620100
2-(1-adamantyl)-N-(2-hydroxy-1-propan-2-ylindol-3-yl)iminoacetamide
CID 135775403
ethyl 2-[2-hydroxy-3-(pyridine-3-carbonyldiazenyl)indol-1-yl]acetate
CID 1365617
3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)diazenyl]-1-propan-2-ylindol-2-ol
CID 135702232

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-6-methylpyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-6-methylpyridine-3-carboxamide (CID 935067) is N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)/N=N/c2c(O)n(C(C)C)c3ccccc23)cn1.
What is the InChIKey of N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-6-methylpyridine-3-carboxamide?
The InChIKey is GYSVCWLOEKBDLO-QZQOTICOSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-11(2)22-15-7-5-4-6-14(15)16(18(22)24)20-21-17(23)13-9-8-12(3)19-10-13/h4-11,24H,1-3H3/b21-20+.
What are the key properties of N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-6-methylpyridine-3-carboxamide?
N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-6-methylpyridine-3-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 935067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).