N-[[4-(dimethylamino)phenyl]methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide

C19H22N4O — CID 71761817

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)NCc3ccc(N(C)C)cc3)n2c1
InChIInChI=1S/C19H22N4O/c1-13-5-10-17-21-14(2)18(23(17)12-13)19(24)20-11-15-6-8-16(9-7-15)22(3)4/h5-10,12H,11H2,1-4H3,(H,20,24)
InChIKeyPRJGSODPEJDTAJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.95
Rot. Bonds4

About N-[[4-(dimethylamino)phenyl]methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide

N-[[4-(dimethylamino)phenyl]methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71761817) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71761817
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)NCc3ccc(N(C)C)cc3)n2c1
InChIInChI=1S/C19H22N4O/c1-13-5-10-17-21-14(2)18(23(17)12-13)19(24)20-11-15-6-8-16(9-7-15)22(3)4/h5-10,12H,11H2,1-4H3,(H,20,24)
InChIKeyPRJGSODPEJDTAJ-UHFFFAOYSA-N
XLogP2.95
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide (CID 71761817) is N-[[4-(dimethylamino)phenyl]methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc2nc(C)c(C(=O)NCc3ccc(N(C)C)cc3)n2c1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is PRJGSODPEJDTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13-5-10-17-21-14(2)18(23(17)12-13)19(24)20-11-15-6-8-16(9-7-15)22(3)4/h5-10,12H,11H2,1-4H3,(H,20,24).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
N-[[4-(dimethylamino)phenyl]methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71761817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).