N-[3-[(S)-(2-methoxyanilino)-pyridin-2-ylmethyl]-2-methyl-1H-indol-5-yl]thiophene-2-carboxamide

C27H24N4O2S — CID 92501196

IUPACN-[3-[(S)-(2-methoxyanilino)-pyridin-2-ylmethyl]-2-methyl-1H-indol-5-yl]thiophene-2-carboxamide
SMILESCOc1ccccc1N[C@H](c1ccccn1)c1c(C)[nH]c2ccc(NC(=O)c3cccs3)cc12
InChIInChI=1S/C27H24N4O2S/c1-17-25(19-16-18(12-13-20(19)29-17)30-27(32)24-11-7-15-34-24)26(22-9-5-6-14-28-22)31-21-8-3-4-10-23(21)33-2/h3-16,26,29,31H,1-2H3,(H,30,32)/t26-/m1/s1
InChIKeyVIOSAWCDKPLWDY-AREMUKBSSA-N
MW468.58 g/mol
LogP6.40
Rot. Bonds7

About N-[3-[(S)-(2-methoxyanilino)-pyridin-2-ylmethyl]-2-methyl-1H-indol-5-yl]thiophene-2-carboxamide

N-[3-[(S)-(2-methoxyanilino)-pyridin-2-ylmethyl]-2-methyl-1H-indol-5-yl]thiophene-2-carboxamide (PubChem CID 92501196) has the molecular formula C27H24N4O2S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-[3-[(S)-(2-methoxyanilino)-pyridin-2-ylmethyl]-2-methyl-1H-indol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(S)-(2-methoxyanilino)-pyridin-2-ylmethyl]-2-methyl-1H-indol-5-yl]thiophene-2-carboxamide
PubChem CID92501196
Molecular FormulaC27H24N4O2S
Molecular Weight468.58 g/mol
Exact Mass468.16
IUPAC NameN-[3-[(S)-(2-methoxyanilino)-pyridin-2-ylmethyl]-2-methyl-1H-indol-5-yl]thiophene-2-carboxamide
SMILESCOc1ccccc1N[C@H](c1ccccn1)c1c(C)[nH]c2ccc(NC(=O)c3cccs3)cc12
InChIInChI=1S/C27H24N4O2S/c1-17-25(19-16-18(12-13-20(19)29-17)30-27(32)24-11-7-15-34-24)26(22-9-5-6-14-28-22)31-21-8-3-4-10-23(21)33-2/h3-16,26,29,31H,1-2H3,(H,30,32)/t26-/m1/s1
InChIKeyVIOSAWCDKPLWDY-AREMUKBSSA-N
XLogP6.40
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.58
LogP ≤ 56.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(S)-(2-methoxyanilino)-pyridin-2-ylmethyl]-2-methyl-1H-indol-5-yl]furan-2-carboxamide
CID 92501188
4-methoxy-N-[2-methyl-3-[(2-methylanilino)-pyridin-2-ylmethyl]-1H-indol-5-yl]benzamide
CID 50750893
N-[2-methyl-3-[[(6-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]-1H-indol-5-yl]benzamide
CID 50750861
4-fluoro-N-[2-methyl-3-[(S)-piperidin-1-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide
CID 92736686
N-(2,3-dimethyl-1H-indol-5-yl)pyridine-2-carboxamide
CID 140508282
4-fluoro-N-[2-methyl-3-[(R)-morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide
CID 92736687
2-chloro-N-[2-methyl-3-[(S)-morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide
CID 92736744
N-(4-chloro-3-methoxyphenyl)thiophene-2-carboxamide
CID 107271770
N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide
CID 878235
N-(3-methyl-2H-indazol-5-yl)thiophene-2-carboxamide
CID 123632210
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 24658002
N-[4-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 19630801

Frequently Asked Questions

What is the IUPAC name of N-[3-[(S)-(2-methoxyanilino)-pyridin-2-ylmethyl]-2-methyl-1H-indol-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(S)-(2-methoxyanilino)-pyridin-2-ylmethyl]-2-methyl-1H-indol-5-yl]thiophene-2-carboxamide (CID 92501196) is N-[3-[(S)-(2-methoxyanilino)-pyridin-2-ylmethyl]-2-methyl-1H-indol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(S)-(2-methoxyanilino)-pyridin-2-ylmethyl]-2-methyl-1H-indol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(S)-(2-methoxyanilino)-pyridin-2-ylmethyl]-2-methyl-1H-indol-5-yl]thiophene-2-carboxamide is COc1ccccc1N[C@H](c1ccccn1)c1c(C)[nH]c2ccc(NC(=O)c3cccs3)cc12.
What is the InChIKey of N-[3-[(S)-(2-methoxyanilino)-pyridin-2-ylmethyl]-2-methyl-1H-indol-5-yl]thiophene-2-carboxamide?
The InChIKey is VIOSAWCDKPLWDY-AREMUKBSSA-N. The full InChI is InChI=1S/C27H24N4O2S/c1-17-25(19-16-18(12-13-20(19)29-17)30-27(32)24-11-7-15-34-24)26(22-9-5-6-14-28-22)31-21-8-3-4-10-23(21)33-2/h3-16,26,29,31H,1-2H3,(H,30,32)/t26-/m1/s1.
What are the key properties of N-[3-[(S)-(2-methoxyanilino)-pyridin-2-ylmethyl]-2-methyl-1H-indol-5-yl]thiophene-2-carboxamide?
N-[3-[(S)-(2-methoxyanilino)-pyridin-2-ylmethyl]-2-methyl-1H-indol-5-yl]thiophene-2-carboxamide has a molecular weight of 468.58 g/mol, XLogP of 6.40, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(S)-(2-methoxyanilino)-pyridin-2-ylmethyl]-2-methyl-1H-indol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 92501196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).