N,2,7-trimethyl-N-(quinolin-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide

C21H20N4O — CID 42796821

IUPACN,2,7-trimethyl-N-(quinolin-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccn2c(C(=O)N(C)Cc3ccc4ccccc4n3)c(C)nc2c1
InChIInChI=1S/C21H20N4O/c1-14-10-11-25-19(12-14)22-15(2)20(25)21(26)24(3)13-17-9-8-16-6-4-5-7-18(16)23-17/h4-12H,13H2,1-3H3
InChIKeyHBTXUGUMLQIWHX-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.77
Rot. Bonds3

About N,2,7-trimethyl-N-(quinolin-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide

N,2,7-trimethyl-N-(quinolin-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 42796821) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is N,2,7-trimethyl-N-(quinolin-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,2,7-trimethyl-N-(quinolin-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID42796821
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC NameN,2,7-trimethyl-N-(quinolin-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccn2c(C(=O)N(C)Cc3ccc4ccccc4n3)c(C)nc2c1
InChIInChI=1S/C21H20N4O/c1-14-10-11-25-19(12-14)22-15(2)20(25)21(26)24(3)13-17-9-8-16-6-4-5-7-18(16)23-17/h4-12H,13H2,1-3H3
InChIKeyHBTXUGUMLQIWHX-UHFFFAOYSA-N
XLogP3.77
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2,7-trimethyl-N-(quinolin-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N,2,7-trimethyl-N-(quinolin-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 42796821) is N,2,7-trimethyl-N-(quinolin-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N,2,7-trimethyl-N-(quinolin-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N,2,7-trimethyl-N-(quinolin-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccn2c(C(=O)N(C)Cc3ccc4ccccc4n3)c(C)nc2c1.
What is the InChIKey of N,2,7-trimethyl-N-(quinolin-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is HBTXUGUMLQIWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-14-10-11-25-19(12-14)22-15(2)20(25)21(26)24(3)13-17-9-8-16-6-4-5-7-18(16)23-17/h4-12H,13H2,1-3H3.
What are the key properties of N,2,7-trimethyl-N-(quinolin-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide?
N,2,7-trimethyl-N-(quinolin-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,7-trimethyl-N-(quinolin-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 42796821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).