N-[(3-methoxyphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-(2-phenylethyl)-5-pyridin-4-ylthiophene-2-carboxamide;5-pyridin-4-yl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide

C52H45N7O4S3 — CID 158269920

IUPACN-[(3-methoxyphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-(2-phenylethyl)-5-pyridin-4-ylthiophene-2-carboxamide;5-pyridin-4-yl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc(-c3ccncc3)s2)c1.O=C(NCCc1ccccc1)c1ccc(-c2ccncc2)s1.O=C(NCc1ccccn1)c1ccc(-c2ccncc2)s1
InChIInChI=1S/C18H16N2O2S.C18H16N2OS.C16H13N3OS/c1-22-15-4-2-3-13(11-15)12-20-18(21)17-6-5-16(23-17)14-7-9-19-10-8-14;21-18(20-13-8-14-4-2-1-3-5-14)17-7-6-16(22-17)15-9-11-19-12-10-15;20-16(19-11-13-3-1-2-8-18-13)15-5-4-14(21-15)12-6-9-17-10-7-12/h2-11H,12H2,1H3,(H,20,21);1-7,9-12H,8,13H2,(H,20,21);1-10H,11H2,(H,19,20)
InChIKeyGIXCKNDPNJZTBV-UHFFFAOYSA-N
MW928.18 g/mol
LogP10.67
Rot. Bonds14

About N-[(3-methoxyphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-(2-phenylethyl)-5-pyridin-4-ylthiophene-2-carboxamide;5-pyridin-4-yl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide

N-[(3-methoxyphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-(2-phenylethyl)-5-pyridin-4-ylthiophene-2-carboxamide;5-pyridin-4-yl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 158269920) has the molecular formula C52H45N7O4S3 and a molecular weight of 928.18 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-(2-phenylethyl)-5-pyridin-4-ylthiophene-2-carboxamide;5-pyridin-4-yl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-(2-phenylethyl)-5-pyridin-4-ylthiophene-2-carboxamide;5-pyridin-4-yl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
PubChem CID158269920
Molecular FormulaC52H45N7O4S3
Molecular Weight928.18 g/mol
Exact Mass927.27
IUPAC NameN-[(3-methoxyphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-(2-phenylethyl)-5-pyridin-4-ylthiophene-2-carboxamide;5-pyridin-4-yl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc(-c3ccncc3)s2)c1.O=C(NCCc1ccccc1)c1ccc(-c2ccncc2)s1.O=C(NCc1ccccn1)c1ccc(-c2ccncc2)s1
InChIInChI=1S/C18H16N2O2S.C18H16N2OS.C16H13N3OS/c1-22-15-4-2-3-13(11-15)12-20-18(21)17-6-5-16(23-17)14-7-9-19-10-8-14;21-18(20-13-8-14-4-2-1-3-5-14)17-7-6-16(22-17)15-9-11-19-12-10-15;20-16(19-11-13-3-1-2-8-18-13)15-5-4-14(21-15)12-6-9-17-10-7-12/h2-11H,12H2,1H3,(H,20,21);1-7,9-12H,8,13H2,(H,20,21);1-10H,11H2,(H,19,20)
InChIKeyGIXCKNDPNJZTBV-UHFFFAOYSA-N
XLogP10.67
TPSA148.09 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500928.18
LogP ≤ 510.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze N-[(3-methoxyphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-(2-phenylethyl)-5-pyridin-4-ylthiophene-2-carboxamide;5-pyridin-4-yl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide with MolForge

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Related Compounds

5-Methyl-N-[(2R)-1-oxo-1-[[(3R)-pyrrolidin-3-yl]amino]-3-[6-[3-(trifluoromethoxy)phenyl]pyridin-3-yl]propan-2-yl]-4-propylthiophene-2-carboxamide
CID 91885438
N-[(2R)-1-[2-(dimethylamino)ethylamino]-1-oxo-3-[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-2-yl]-5-methyl-4-propylthiophene-2-carboxamide
CID 118722757
N-[1-(3-methoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 49830717
N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide
CID 124085683
5-methoxy-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 137635786
3-methoxy-N-[5-(4-pyridin-3-ylthiophen-2-yl)-3-pyridinyl]benzamide
CID 145986103
3-methoxy-N-[[5-[4-[[2-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-methoxy-N-[[5-[4-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 87632662
N-[(2-fluoro-3-methoxyphenyl)methyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide
CID 124085690
5-methyl-N-[(2S)-1-oxo-1-[[(3S)-pyrrolidin-3-yl]amino]-3-[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-2-yl]-4-propylthiophene-2-carboxamide
CID 125407810
2-[(5-methyl-4-propylthiophen-2-yl)formamido]-N-(pyrrolidin-3-yl)-3-{6-[3-(trifluoromethoxy)phenyl]pyridin-3-yl}propanamide
CID 139035797
3-methoxy-N-[[5-[4-[[2-[2-(trifluoromethyl)-3-pyridinyl]phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 140093580
methyl 7-[4-(trifluoromethyl)phenoxy]-1-benzothiophene-2-carboxylate;(1S)-1-pyridin-2-ylethanamine;N-[(1S)-1-pyridin-2-ylethyl]-7-[4-(trifluoromethyl)phenoxy]-1-benzothiophene-2-carboxamide;7-[4-(trifluoromethyl)phenoxy]-1-benzothiophene-2-carboxylic acid
CID 158765163

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-(2-phenylethyl)-5-pyridin-4-ylthiophene-2-carboxamide;5-pyridin-4-yl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-(2-phenylethyl)-5-pyridin-4-ylthiophene-2-carboxamide;5-pyridin-4-yl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide (CID 158269920) is N-[(3-methoxyphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-(2-phenylethyl)-5-pyridin-4-ylthiophene-2-carboxamide;5-pyridin-4-yl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-(2-phenylethyl)-5-pyridin-4-ylthiophene-2-carboxamide;5-pyridin-4-yl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-(2-phenylethyl)-5-pyridin-4-ylthiophene-2-carboxamide;5-pyridin-4-yl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide is COc1cccc(CNC(=O)c2ccc(-c3ccncc3)s2)c1.O=C(NCCc1ccccc1)c1ccc(-c2ccncc2)s1.O=C(NCc1ccccn1)c1ccc(-c2ccncc2)s1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-(2-phenylethyl)-5-pyridin-4-ylthiophene-2-carboxamide;5-pyridin-4-yl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is GIXCKNDPNJZTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S.C18H16N2OS.C16H13N3OS/c1-22-15-4-2-3-13(11-15)12-20-18(21)17-6-5-16(23-17)14-7-9-19-10-8-14;21-18(20-13-8-14-4-2-1-3-5-14)17-7-6-16(22-17)15-9-11-19-12-10-15;20-16(19-11-13-3-1-2-8-18-13)15-5-4-14(21-15)12-6-9-17-10-7-12/h2-11H,12H2,1H3,(H,20,21);1-7,9-12H,8,13H2,(H,20,21);1-10H,11H2,(H,19,20).
What are the key properties of N-[(3-methoxyphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-(2-phenylethyl)-5-pyridin-4-ylthiophene-2-carboxamide;5-pyridin-4-yl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide?
N-[(3-methoxyphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-(2-phenylethyl)-5-pyridin-4-ylthiophene-2-carboxamide;5-pyridin-4-yl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 928.18 g/mol, XLogP of 10.67, 14 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-(2-phenylethyl)-5-pyridin-4-ylthiophene-2-carboxamide;5-pyridin-4-yl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 158269920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).