N-[1-(3-amino-2-carbamimidoylphenoxy)-2-methylpropan-2-yl]imidazo[1,2-a]pyridine-7-carboxamide

C19H22N6O2 — CID 123769245

IUPACN-[1-(3-amino-2-carbamimidoylphenoxy)-2-methylpropan-2-yl]imidazo[1,2-a]pyridine-7-carboxamide
SMILES[H]/N=C(\N)c1c(N)cccc1OCC(C)(C)NC(=O)c1ccn2ccnc2c1
InChIInChI=1S/C19H22N6O2/c1-19(2,11-27-14-5-3-4-13(20)16(14)17(21)22)24-18(26)12-6-8-25-9-7-23-15(25)10-12/h3-10H,11,20H2,1-2H3,(H3,21,22)(H,24,26)
InChIKeySALUWEZTLVEGJJ-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.79
Rot. Bonds6

About N-[1-(3-amino-2-carbamimidoylphenoxy)-2-methylpropan-2-yl]imidazo[1,2-a]pyridine-7-carboxamide

N-[1-(3-amino-2-carbamimidoylphenoxy)-2-methylpropan-2-yl]imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 123769245) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-[1-(3-amino-2-carbamimidoylphenoxy)-2-methylpropan-2-yl]imidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[1-(3-amino-2-carbamimidoylphenoxy)-2-methylpropan-2-yl]imidazo[1,2-a]pyridine-7-carboxamide
PubChem CID123769245
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC NameN-[1-(3-amino-2-carbamimidoylphenoxy)-2-methylpropan-2-yl]imidazo[1,2-a]pyridine-7-carboxamide
SMILES[H]/N=C(\N)c1c(N)cccc1OCC(C)(C)NC(=O)c1ccn2ccnc2c1
InChIInChI=1S/C19H22N6O2/c1-19(2,11-27-14-5-3-4-13(20)16(14)17(21)22)24-18(26)12-6-8-25-9-7-23-15(25)10-12/h3-10H,11,20H2,1-2H3,(H3,21,22)(H,24,26)
InChIKeySALUWEZTLVEGJJ-UHFFFAOYSA-N
XLogP1.79
TPSA131.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-amino-2-ethanimidoylphenoxy)-2-methylpropan-2-yl]-2-ethoxypyridine-4-carboxamide
CID 123412297
1-[4-[[1-(3-amino-2-ethanimidoylphenoxy)-2-methylpropan-2-yl]carbamoyl]-2-pyridinyl]imidazole-4-carboxylic acid
CID 123482274
N-[1-(2-ethanimidoyl-3-methylphenoxy)-2-methylpropan-2-yl]-2-(methoxymethyl)pyridine-4-carboxamide
CID 123231712
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
CID 158200647
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-propan-2-ylimidazol-1-yl)pyridine-4-carboxamide
CID 85468756
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-methylimidazol-1-yl)pyridine-4-carboxamide
CID 85468883
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 58460319
3-(3-amino-2-methoxycarbonylphenoxy)-2,2-dimethylpropanoic acid
CID 107341870
N-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-ethylimidazol-1-yl)pyridine-4-carboxamide
CID 144688467
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(methylamino)pyridine-4-carboxamide
CID 85469556
N-[1-[(4-amino-2-methylidene-2-oxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(imidazol-1-ylmethyl)pyridine-4-carboxamide
CID 123171282
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(3-hydroxypropoxy)-4-methoxybenzamide;carbon dioxide
CID 159342253

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-amino-2-carbamimidoylphenoxy)-2-methylpropan-2-yl]imidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of N-[1-(3-amino-2-carbamimidoylphenoxy)-2-methylpropan-2-yl]imidazo[1,2-a]pyridine-7-carboxamide (CID 123769245) is N-[1-(3-amino-2-carbamimidoylphenoxy)-2-methylpropan-2-yl]imidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for N-[1-(3-amino-2-carbamimidoylphenoxy)-2-methylpropan-2-yl]imidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for N-[1-(3-amino-2-carbamimidoylphenoxy)-2-methylpropan-2-yl]imidazo[1,2-a]pyridine-7-carboxamide is [H]/N=C(\N)c1c(N)cccc1OCC(C)(C)NC(=O)c1ccn2ccnc2c1.
What is the InChIKey of N-[1-(3-amino-2-carbamimidoylphenoxy)-2-methylpropan-2-yl]imidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is SALUWEZTLVEGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-19(2,11-27-14-5-3-4-13(20)16(14)17(21)22)24-18(26)12-6-8-25-9-7-23-15(25)10-12/h3-10H,11,20H2,1-2H3,(H3,21,22)(H,24,26).
What are the key properties of N-[1-(3-amino-2-carbamimidoylphenoxy)-2-methylpropan-2-yl]imidazo[1,2-a]pyridine-7-carboxamide?
N-[1-(3-amino-2-carbamimidoylphenoxy)-2-methylpropan-2-yl]imidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 1.79, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-amino-2-carbamimidoylphenoxy)-2-methylpropan-2-yl]imidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 123769245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).