N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C21H20N4O2 — CID 90550161

IUPACN-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)NCC#Cc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C21H20N4O2/c1-15-19(25-14-5-4-8-18(25)23-15)20(26)22-13-6-7-16-9-11-17(12-10-16)21(27)24(2)3/h4-5,8-12,14H,13H2,1-3H3,(H,22,26)
InChIKeyFISRQLBQEKEKIE-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.13
Rot. Bonds3

About N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90550161) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90550161
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)NCC#Cc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C21H20N4O2/c1-15-19(25-14-5-4-8-18(25)23-15)20(26)22-13-6-7-16-9-11-17(12-10-16)21(27)24(2)3/h4-5,8-12,14H,13H2,1-3H3,(H,22,26)
InChIKeyFISRQLBQEKEKIE-UHFFFAOYSA-N
XLogP2.13
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 90551414
N-ethyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 789702
N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-1-benzofuran-2-carboxamide
CID 90550119
4-[3-[(2-indol-1-ylacetyl)amino]prop-1-ynyl]-N,N-dimethylbenzamide
CID 90549934
N,2-dimethyl-N-prop-2-ynylimidazo[1,2-a]pyridine-3-carboxamide
CID 126470164
N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-(trifluoromethyl)benzamide
CID 90550064
N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90577798
N-[1-(4-cyanophenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 3663638
N,N-dimethyl-4-[3-[(2-phenoxyacetyl)amino]prop-1-ynyl]benzamide
CID 90550076
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 122356267
N-[2-(furan-3-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90558299
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 122295413

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 90550161) is N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2ccccn2c1C(=O)NCC#Cc1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is FISRQLBQEKEKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-15-19(25-14-5-4-8-18(25)23-15)20(26)22-13-6-7-16-9-11-17(12-10-16)21(27)24(2)3/h4-5,8-12,14H,13H2,1-3H3,(H,22,26).
What are the key properties of N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90550161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).