6-imidazol-1-yl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide

C23H22N4OS — CID 24665671

IUPAC6-imidazol-1-yl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
SMILESCCCc1ccc(C(NC(=O)c2ccc(-n3ccnc3)nc2)c2cccs2)cc1
InChIInChI=1S/C23H22N4OS/c1-2-4-17-6-8-18(9-7-17)22(20-5-3-14-29-20)26-23(28)19-10-11-21(25-15-19)27-13-12-24-16-27/h3,5-16,22H,2,4H2,1H3,(H,26,28)
InChIKeyFAQOYCZQXPIUCO-UHFFFAOYSA-N
MW402.52 g/mol
LogP4.80
Rot. Bonds7

About 6-imidazol-1-yl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide

6-imidazol-1-yl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide (PubChem CID 24665671) has the molecular formula C23H22N4OS and a molecular weight of 402.52 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-imidazol-1-yl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
PubChem CID24665671
Molecular FormulaC23H22N4OS
Molecular Weight402.52 g/mol
Exact Mass402.15
IUPAC Name6-imidazol-1-yl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
SMILESCCCc1ccc(C(NC(=O)c2ccc(-n3ccnc3)nc2)c2cccs2)cc1
InChIInChI=1S/C23H22N4OS/c1-2-4-17-6-8-18(9-7-17)22(20-5-3-14-29-20)26-23(28)19-10-11-21(25-15-19)27-13-12-24-16-27/h3,5-16,22H,2,4H2,1H3,(H,26,28)
InChIKeyFAQOYCZQXPIUCO-UHFFFAOYSA-N
XLogP4.80
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-imidazol-1-yl-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 51725269
N-ethyl-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152181
N-[1-(4-ethoxyphenyl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 134001965
1-methyl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]-3-pyridin-4-ylpyrazole-4-carboxamide
CID 47074845
2-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid
CID 43355195
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 79246612
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 60555147
ethane;6-imidazol-1-yl-N-methylpyridine-3-carboxamide
CID 142231779
4-(acetamidomethyl)-N-[(4-butylphenyl)-thiophen-2-ylmethyl]benzamide
CID 46655862
1-ethyl-2,3-dioxo-N-[(4-propylphenyl)-thiophen-2-ylmethyl]-4H-quinoxaline-6-carboxamide
CID 24550451
6-imidazol-1-yl-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 103856069
4-(2-amino-2-oxoethoxy)-N-[(S)-(4-butylphenyl)-thiophen-2-ylmethyl]benzamide
CID 41411582

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide?
The IUPAC name of 6-imidazol-1-yl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide (CID 24665671) is 6-imidazol-1-yl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-imidazol-1-yl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-imidazol-1-yl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide is CCCc1ccc(C(NC(=O)c2ccc(-n3ccnc3)nc2)c2cccs2)cc1.
What is the InChIKey of 6-imidazol-1-yl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide?
The InChIKey is FAQOYCZQXPIUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS/c1-2-4-17-6-8-18(9-7-17)22(20-5-3-14-29-20)26-23(28)19-10-11-21(25-15-19)27-13-12-24-16-27/h3,5-16,22H,2,4H2,1H3,(H,26,28).
What are the key properties of 6-imidazol-1-yl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide?
6-imidazol-1-yl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide is sourced from PubChem (CID 24665671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).