N-[5-[N-(cyclopropanecarboximidoyl)-N-cyclopropylcarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide

C23H24N6O — CID 176677272

IUPACN-[5-[N-(cyclopropanecarboximidoyl)-N-cyclopropylcarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILES[H]/N=C(\c1ccc(C)c(NC(=O)c2cnc3ccccn23)c1)N(/C(=N/[H])C1CC1)C1CC1
InChIInChI=1S/C23H24N6O/c1-14-5-6-16(22(25)29(17-9-10-17)21(24)15-7-8-15)12-18(14)27-23(30)19-13-26-20-4-2-3-11-28(19)20/h2-6,11-13,15,17,24-25H,7-10H2,1H3,(H,27,30)/b24-21+,25-22+
InChIKeyKUTNQOVJOFRANI-VNABVMDTSA-N
MW400.49 g/mol
LogP4.07
Rot. Bonds5

About N-[5-[N-(cyclopropanecarboximidoyl)-N-cyclopropylcarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[5-[N-(cyclopropanecarboximidoyl)-N-cyclopropylcarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 176677272) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is N-[5-[N-(cyclopropanecarboximidoyl)-N-cyclopropylcarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[N-(cyclopropanecarboximidoyl)-N-cyclopropylcarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID176677272
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC NameN-[5-[N-(cyclopropanecarboximidoyl)-N-cyclopropylcarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILES[H]/N=C(\c1ccc(C)c(NC(=O)c2cnc3ccccn23)c1)N(/C(=N/[H])C1CC1)C1CC1
InChIInChI=1S/C23H24N6O/c1-14-5-6-16(22(25)29(17-9-10-17)21(24)15-7-8-15)12-18(14)27-23(30)19-13-26-20-4-2-3-11-28(19)20/h2-6,11-13,15,17,24-25H,7-10H2,1H3,(H,27,30)/b24-21+,25-22+
InChIKeyKUTNQOVJOFRANI-VNABVMDTSA-N
XLogP4.07
TPSA97.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[N-(1-carbamimidoylazetidine-3-carbonyl)carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 139515152
N-[5-[N'-(azetidine-3-carbonyl)carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 123638257
N-[5-[(2Z)-2-[(3,3-difluorocyclobutyl)hydrazinylidene]ethanimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;molecular hydrogen;hydroiodide
CID 176677204
N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71280864
N-(2-methyl-5-nitrophenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 171795486
N-[5-[cyclohexyl(ethyl)carbamoyl]-2-hydroxyphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 67002914
N-[5-(cyclopentylcarbamoyl)-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71292506
azetidine;N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796634
N-[2-methyl-5-(1-methylpyrazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171795473
N-[5-[5-[(2R)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796698
N-[5-[N'-[4-(3,3-difluorocyclobutanecarbonyl)-3,5-dihydro-2H-pyrazin-6-yl]carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 176677221
N-[5-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 176617365

Frequently Asked Questions

What is the IUPAC name of N-[5-[N-(cyclopropanecarboximidoyl)-N-cyclopropylcarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[N-(cyclopropanecarboximidoyl)-N-cyclopropylcarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 176677272) is N-[5-[N-(cyclopropanecarboximidoyl)-N-cyclopropylcarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[N-(cyclopropanecarboximidoyl)-N-cyclopropylcarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[N-(cyclopropanecarboximidoyl)-N-cyclopropylcarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is [H]/N=C(\c1ccc(C)c(NC(=O)c2cnc3ccccn23)c1)N(/C(=N/[H])C1CC1)C1CC1.
What is the InChIKey of N-[5-[N-(cyclopropanecarboximidoyl)-N-cyclopropylcarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is KUTNQOVJOFRANI-VNABVMDTSA-N. The full InChI is InChI=1S/C23H24N6O/c1-14-5-6-16(22(25)29(17-9-10-17)21(24)15-7-8-15)12-18(14)27-23(30)19-13-26-20-4-2-3-11-28(19)20/h2-6,11-13,15,17,24-25H,7-10H2,1H3,(H,27,30)/b24-21+,25-22+.
What are the key properties of N-[5-[N-(cyclopropanecarboximidoyl)-N-cyclopropylcarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[5-[N-(cyclopropanecarboximidoyl)-N-cyclopropylcarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 400.49 g/mol, XLogP of 4.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[N-(cyclopropanecarboximidoyl)-N-cyclopropylcarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 176677272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).