N-[(2-methoxy-4-pyridinyl)methyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide

C18H19N3O2S — CID 51112604

IUPACN-[(2-methoxy-4-pyridinyl)methyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide
SMILESCOc1cc(CNC(=O)c2c(-n3cccc3)sc(C)c2C)ccn1
InChIInChI=1S/C18H19N3O2S/c1-12-13(2)24-18(21-8-4-5-9-21)16(12)17(22)20-11-14-6-7-19-15(10-14)23-3/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyUYBREDPTQFKEBU-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.49
Rot. Bonds5

About N-[(2-methoxy-4-pyridinyl)methyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide

N-[(2-methoxy-4-pyridinyl)methyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide (PubChem CID 51112604) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[(2-methoxy-4-pyridinyl)methyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxy-4-pyridinyl)methyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide
PubChem CID51112604
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[(2-methoxy-4-pyridinyl)methyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide
SMILESCOc1cc(CNC(=O)c2c(-n3cccc3)sc(C)c2C)ccn1
InChIInChI=1S/C18H19N3O2S/c1-12-13(2)24-18(21-8-4-5-9-21)16(12)17(22)20-11-14-6-7-19-15(10-14)23-3/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyUYBREDPTQFKEBU-UHFFFAOYSA-N
XLogP3.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide
CID 55745887
2-amino-N-[(2-methoxy-4-pyridinyl)methyl]-6-methylbenzamide
CID 62990733
N-[(2-methoxy-4-pyridinyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47146135
2-amino-6-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 81394679
N-[(2-methoxy-4-pyridinyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 47019691
N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 47142420
N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 51088106
4,5-dimethyl-N-propyl-2-pyrrol-1-ylthiophene-3-carboxamide
CID 24654506
3-amino-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 62072661
4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]naphthalene-1-carboxamide
CID 18277956
N-[(2-methoxy-4-pyridinyl)methyl]-3-phenylpropanamide
CID 18167302
4-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-2-carboxamide
CID 62991134

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide?
The IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide (CID 51112604) is N-[(2-methoxy-4-pyridinyl)methyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide.
What is the SMILES notation for N-[(2-methoxy-4-pyridinyl)methyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide?
The canonical SMILES for N-[(2-methoxy-4-pyridinyl)methyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide is COc1cc(CNC(=O)c2c(-n3cccc3)sc(C)c2C)ccn1.
What is the InChIKey of N-[(2-methoxy-4-pyridinyl)methyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide?
The InChIKey is UYBREDPTQFKEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12-13(2)24-18(21-8-4-5-9-21)16(12)17(22)20-11-14-6-7-19-15(10-14)23-3/h4-10H,11H2,1-3H3,(H,20,22).
What are the key properties of N-[(2-methoxy-4-pyridinyl)methyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide?
N-[(2-methoxy-4-pyridinyl)methyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4-pyridinyl)methyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide is sourced from PubChem (CID 51112604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).