N-[5-[[[3-[(dimethylamino)methyl]phenyl]carbamoylamino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide

C26H28N6O2 — CID 86764679

IUPACN-[5-[[[3-[(dimethylamino)methyl]phenyl]carbamoylamino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)Nc2cccc(CN(C)C)c2)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C26H28N6O2/c1-18-10-11-19(15-28-26(34)29-21-8-6-7-20(13-21)17-31(2)3)14-22(18)30-25(33)23-16-27-24-9-4-5-12-32(23)24/h4-14,16H,15,17H2,1-3H3,(H,30,33)(H2,28,29,34)
InChIKeyOCUIIRXHYOSRMP-UHFFFAOYSA-N
MW456.55 g/mol
LogP4.28
Rot. Bonds7

About N-[5-[[[3-[(dimethylamino)methyl]phenyl]carbamoylamino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[5-[[[3-[(dimethylamino)methyl]phenyl]carbamoylamino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 86764679) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-[5-[[[3-[(dimethylamino)methyl]phenyl]carbamoylamino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[[[3-[(dimethylamino)methyl]phenyl]carbamoylamino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID86764679
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC NameN-[5-[[[3-[(dimethylamino)methyl]phenyl]carbamoylamino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)Nc2cccc(CN(C)C)c2)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C26H28N6O2/c1-18-10-11-19(15-28-26(34)29-21-8-6-7-20(13-21)17-31(2)3)14-22(18)30-25(33)23-16-27-24-9-4-5-12-32(23)24/h4-14,16H,15,17H2,1-3H3,(H,30,33)(H2,28,29,34)
InChIKeyOCUIIRXHYOSRMP-UHFFFAOYSA-N
XLogP4.28
TPSA90.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[5-[[[3-[(dimethylamino)methyl]phenyl]carbamoylamino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Related Compounds

ethane;N-[2-methyl-5-[(prop-1-en-2-ylamino)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 144771657
N-[5-[(1S)-1-[[5-[(dimethylamino)methyl]-2-fluorophenyl]carbamoylamino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 86764686
N-[2-methyl-5-[(pyridine-3-carbonylamino)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 86763809
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
CID 166360892
tert-butyl N-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]carbamate
CID 71280675
N-(2-methyl-5-nitrophenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 171795486
N-[2-methyl-5-[5-[(methylcarbamoylamino)methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71291711
N-[2-methyl-5-(1-methylpyrazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171795473
N-[5-(3-anilino-1,2,4-oxadiazol-5-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71281639
aniline;N-[2-methyl-5-(2H-oxadiazet-4-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 144545364
1-[(4-chlorophenyl)methyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
CID 71462105
N-[5-[5-(fluoromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71282200

Frequently Asked Questions

What is the IUPAC name of N-[5-[[[3-[(dimethylamino)methyl]phenyl]carbamoylamino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[[[3-[(dimethylamino)methyl]phenyl]carbamoylamino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 86764679) is N-[5-[[[3-[(dimethylamino)methyl]phenyl]carbamoylamino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[[[3-[(dimethylamino)methyl]phenyl]carbamoylamino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[[[3-[(dimethylamino)methyl]phenyl]carbamoylamino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(CNC(=O)Nc2cccc(CN(C)C)c2)cc1NC(=O)c1cnc2ccccn12.
What is the InChIKey of N-[5-[[[3-[(dimethylamino)methyl]phenyl]carbamoylamino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is OCUIIRXHYOSRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-18-10-11-19(15-28-26(34)29-21-8-6-7-20(13-21)17-31(2)3)14-22(18)30-25(33)23-16-27-24-9-4-5-12-32(23)24/h4-14,16H,15,17H2,1-3H3,(H,30,33)(H2,28,29,34).
What are the key properties of N-[5-[[[3-[(dimethylamino)methyl]phenyl]carbamoylamino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[5-[[[3-[(dimethylamino)methyl]phenyl]carbamoylamino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 4.28, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[[3-[(dimethylamino)methyl]phenyl]carbamoylamino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 86764679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).