N-(cyclobutylmethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide

C18H24N4OS — CID 131677316

IUPACN-(cyclobutylmethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
SMILESCn1cnc2c1C(C(=O)NCC1CCC1)CN(Cc1ccsc1)C2
InChIInChI=1S/C18H24N4OS/c1-21-12-20-16-10-22(8-14-5-6-24-11-14)9-15(17(16)21)18(23)19-7-13-3-2-4-13/h5-6,11-13,15H,2-4,7-10H2,1H3,(H,19,23)
InChIKeyVCUPFDDNUGXZFM-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.50
Rot. Bonds5

About N-(cyclobutylmethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide

N-(cyclobutylmethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide (PubChem CID 131677316) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
PubChem CID131677316
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC NameN-(cyclobutylmethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
SMILESCn1cnc2c1C(C(=O)NCC1CCC1)CN(Cc1ccsc1)C2
InChIInChI=1S/C18H24N4OS/c1-21-12-20-16-10-22(8-14-5-6-24-11-14)9-15(17(16)21)18(23)19-7-13-3-2-4-13/h5-6,11-13,15H,2-4,7-10H2,1H3,(H,19,23)
InChIKeyVCUPFDDNUGXZFM-UHFFFAOYSA-N
XLogP2.50
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
CID 131658412
N-(cyclobutylmethyl)-5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
CID 131663942
(7R)-5-(1,3-benzodioxol-5-ylmethyl)-N-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
CID 124806479
(7S)-7-(ethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 97368289
(7R)-5-(furan-3-ylmethyl)-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
CID 124806785
N-(2-methoxyethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
CID 131677678
(5S)-N-(oxan-4-ylmethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 124781090
5-(furan-2-ylmethyl)-1-methyl-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
CID 131658446
N-cyclopropyl-1-methyl-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
CID 133140996
N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 131898411
5-cyclopentyl-1-methyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
CID 131646186
5-(furan-3-ylmethyl)-1-methyl-N-(pyrimidin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155834456

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide (CID 131677316) is N-(cyclobutylmethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide is Cn1cnc2c1C(C(=O)NCC1CCC1)CN(Cc1ccsc1)C2.
What is the InChIKey of N-(cyclobutylmethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide?
The InChIKey is VCUPFDDNUGXZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-21-12-20-16-10-22(8-14-5-6-24-11-14)9-15(17(16)21)18(23)19-7-13-3-2-4-13/h5-6,11-13,15H,2-4,7-10H2,1H3,(H,19,23).
What are the key properties of N-(cyclobutylmethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide?
N-(cyclobutylmethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide is sourced from PubChem (CID 131677316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).