N-[5-[N'-(azetidine-3-carbonyl)carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide

C20H20N6O2 — CID 123638257

IUPACN-[5-[N'-(azetidine-3-carbonyl)carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(/C(N)=N/C(=O)C2CNC2)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C20H20N6O2/c1-12-5-6-13(18(21)25-19(27)14-9-22-10-14)8-15(12)24-20(28)16-11-23-17-4-2-3-7-26(16)17/h2-8,11,14,22H,9-10H2,1H3,(H,24,28)(H2,21,25,27)
InChIKeyIHHZHSQFMXHJJJ-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.35
Rot. Bonds4

About N-[5-[N'-(azetidine-3-carbonyl)carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[5-[N'-(azetidine-3-carbonyl)carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 123638257) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[5-[N'-(azetidine-3-carbonyl)carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[N'-(azetidine-3-carbonyl)carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID123638257
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC NameN-[5-[N'-(azetidine-3-carbonyl)carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(/C(N)=N/C(=O)C2CNC2)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C20H20N6O2/c1-12-5-6-13(18(21)25-19(27)14-9-22-10-14)8-15(12)24-20(28)16-11-23-17-4-2-3-7-26(16)17/h2-8,11,14,22H,9-10H2,1H3,(H,24,28)(H2,21,25,27)
InChIKeyIHHZHSQFMXHJJJ-UHFFFAOYSA-N
XLogP1.35
TPSA113.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.35
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-[2-methyl-5-[N'-[4-(trifluoromethyl)-2-pyridinyl]carbamimidoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 176677255
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-[N-(1-carbamimidoylazetidine-3-carbonyl)carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 139515152
N-[5-[N-(cyclopropanecarboximidoyl)-N-cyclopropylcarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 176677272
N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[2-methyl-5-[5-(3-oxocyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide;3-oxocyclobutane-1-carboxylic acid
CID 172962600
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-nitrophenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 171795486
(2-chloroacetyl) 2-chloroacetate;N-[5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 172975026
N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;N-[2-methyl-5-[5-(2-oxospiro[3.3]heptan-6-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide;molecular fluorine;2-oxospiro[3.3]heptane-6-carboxylic acid;hydrofluoride
CID 172971853
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
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-(1-methylpyrazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171795473

Frequently Asked Questions

What is the IUPAC name of N-[5-[N'-(azetidine-3-carbonyl)carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[N'-(azetidine-3-carbonyl)carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 123638257) is N-[5-[N'-(azetidine-3-carbonyl)carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[N'-(azetidine-3-carbonyl)carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[N'-(azetidine-3-carbonyl)carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(/C(N)=N/C(=O)C2CNC2)cc1NC(=O)c1cnc2ccccn12.
What is the InChIKey of N-[5-[N'-(azetidine-3-carbonyl)carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is IHHZHSQFMXHJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-12-5-6-13(18(21)25-19(27)14-9-22-10-14)8-15(12)24-20(28)16-11-23-17-4-2-3-7-26(16)17/h2-8,11,14,22H,9-10H2,1H3,(H,24,28)(H2,21,25,27).
What are the key properties of N-[5-[N'-(azetidine-3-carbonyl)carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[5-[N'-(azetidine-3-carbonyl)carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[N'-(azetidine-3-carbonyl)carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 123638257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).