N-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide

C18H21N3OS — CID 50948386

IUPACN-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ccsc1CN(CC(C)C)C(=O)c1ccc2nccn2c1
InChIInChI=1S/C18H21N3OS/c1-13(2)10-21(12-16-14(3)6-9-23-16)18(22)15-4-5-17-19-7-8-20(17)11-15/h4-9,11,13H,10,12H2,1-3H3
InChIKeyKBNKOHXNSLEBTQ-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.00
Rot. Bonds5

About N-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide

N-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 50948386) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID50948386
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC NameN-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ccsc1CN(CC(C)C)C(=O)c1ccc2nccn2c1
InChIInChI=1S/C18H21N3OS/c1-13(2)10-21(12-16-14(3)6-9-23-16)18(22)15-4-5-17-19-7-8-20(17)11-15/h4-9,11,13H,10,12H2,1-3H3
InChIKeyKBNKOHXNSLEBTQ-UHFFFAOYSA-N
XLogP4.00
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 46998829
N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 3629924
N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-ethyl-N-(2-methylpropyl)benzamide
CID 4106870
5-(methoxymethyl)-N-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]furan-2-carboxamide
CID 46983940
N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)-4-nitrobenzamide
CID 42665024
N-benzyl-2-[dimethylcarbamoyl(2-methylpropyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 4670444
N-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 70719847
N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 134791397
N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 3703676
4-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1-N-(3-methylbutyl)benzene-1,4-dicarboxamide
CID 72699526
1-N,1-N,4-N,4-N-tetrakis(2-methylpropyl)benzene-1,4-dicarboxamide
CID 3616296
N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 42819298

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 50948386) is N-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide is Cc1ccsc1CN(CC(C)C)C(=O)c1ccc2nccn2c1.
What is the InChIKey of N-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is KBNKOHXNSLEBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-13(2)10-21(12-16-14(3)6-9-23-16)18(22)15-4-5-17-19-7-8-20(17)11-15/h4-9,11,13H,10,12H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 327.45 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 50948386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).