2,6-dimethyl-N-[(1-methylpiperidin-4-ylidene)amino]imidazo[1,2-a]pyridine-3-carboxamide

C16H21N5O — CID 716056

IUPAC2,6-dimethyl-N-[(1-methylpiperidin-4-ylidene)amino]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)NN=C3CCN(C)CC3)n2c1
InChIInChI=1S/C16H21N5O/c1-11-4-5-14-17-12(2)15(21(14)10-11)16(22)19-18-13-6-8-20(3)9-7-13/h4-5,10H,6-9H2,1-3H3,(H,19,22)
InChIKeyABLIWSYHZXRGEQ-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.76
Rot. Bonds2

About 2,6-dimethyl-N-[(1-methylpiperidin-4-ylidene)amino]imidazo[1,2-a]pyridine-3-carboxamide

2,6-dimethyl-N-[(1-methylpiperidin-4-ylidene)amino]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 716056) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(1-methylpiperidin-4-ylidene)amino]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[(1-methylpiperidin-4-ylidene)amino]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID716056
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name2,6-dimethyl-N-[(1-methylpiperidin-4-ylidene)amino]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)NN=C3CCN(C)CC3)n2c1
InChIInChI=1S/C16H21N5O/c1-11-4-5-14-17-12(2)15(21(14)10-11)16(22)19-18-13-6-8-20(3)9-7-13/h4-5,10H,6-9H2,1-3H3,(H,19,22)
InChIKeyABLIWSYHZXRGEQ-UHFFFAOYSA-N
XLogP1.76
TPSA62.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(1-methylpiperidin-4-ylidene)amino]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[(1-methylpiperidin-4-ylidene)amino]imidazo[1,2-a]pyridine-3-carboxamide (CID 716056) is 2,6-dimethyl-N-[(1-methylpiperidin-4-ylidene)amino]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[(1-methylpiperidin-4-ylidene)amino]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[(1-methylpiperidin-4-ylidene)amino]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc2nc(C)c(C(=O)NN=C3CCN(C)CC3)n2c1.
What is the InChIKey of 2,6-dimethyl-N-[(1-methylpiperidin-4-ylidene)amino]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is ABLIWSYHZXRGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-11-4-5-14-17-12(2)15(21(14)10-11)16(22)19-18-13-6-8-20(3)9-7-13/h4-5,10H,6-9H2,1-3H3,(H,19,22).
What are the key properties of 2,6-dimethyl-N-[(1-methylpiperidin-4-ylidene)amino]imidazo[1,2-a]pyridine-3-carboxamide?
2,6-dimethyl-N-[(1-methylpiperidin-4-ylidene)amino]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[(1-methylpiperidin-4-ylidene)amino]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 716056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).