N-methyl-1-[3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxamide

C28H27N5O2S — CID 67497365

IUPACN-methyl-1-[3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxamide
SMILESCNC(=O)c1cc(-c2ccncc2)cc2c1CCN2C(=O)C(Cc1ccccc1)NCc1cscn1
InChIInChI=1S/C28H27N5O2S/c1-29-27(34)24-14-21(20-7-10-30-11-8-20)15-26-23(24)9-12-33(26)28(35)25(13-19-5-3-2-4-6-19)31-16-22-17-36-18-32-22/h2-8,10-11,14-15,17-18,25,31H,9,12-13,16H2,1H3,(H,29,34)
InChIKeyGFYHSLUQGHFFHH-UHFFFAOYSA-N
MW497.62 g/mol
LogP3.85
Rot. Bonds8

About N-methyl-1-[3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxamide

N-methyl-1-[3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxamide (PubChem CID 67497365) has the molecular formula C28H27N5O2S and a molecular weight of 497.62 g/mol. Its IUPAC name is N-methyl-1-[3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxamide
PubChem CID67497365
Molecular FormulaC28H27N5O2S
Molecular Weight497.62 g/mol
Exact Mass497.19
IUPAC NameN-methyl-1-[3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxamide
SMILESCNC(=O)c1cc(-c2ccncc2)cc2c1CCN2C(=O)C(Cc1ccccc1)NCc1cscn1
InChIInChI=1S/C28H27N5O2S/c1-29-27(34)24-14-21(20-7-10-30-11-8-20)15-26-23(24)9-12-33(26)28(35)25(13-19-5-3-2-4-6-19)31-16-22-17-36-18-32-22/h2-8,10-11,14-15,17-18,25,31H,9,12-13,16H2,1H3,(H,29,34)
InChIKeyGFYHSLUQGHFFHH-UHFFFAOYSA-N
XLogP3.85
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-[(2S)-3-phenyl-2-(2-pyridin-2-ylethylamino)propanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxylate
CID 68753929
methyl 1-[(2S)-2-amino-3-phenylpropanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxylate
CID 67496361
N,N-dimethyl-3-[[3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoyl]amino]-5-pyridin-4-ylbenzamide
CID 67497676
(3S)-4-phenyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)-3-(1,3-thiazol-4-ylmethylamino)butan-2-one
CID 162056146
methyl 1-[(2S)-2-amino-3-phenylpropanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxylate;methyl 1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxylate
CID 158379154
(2S)-3-phenyl-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 67497281
(2S)-3-phenyl-N-(3-pyridin-4-yl-1,2-oxazol-5-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 67497464
3-phenyl-N-(4-pyridin-4-ylpyrimidin-2-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 67497942
(2S)-3-phenyl-N-(5-pyridin-4-yl-1,3-thiazol-2-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 87918344
3-phenyl-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 67497547
methyl (2S)-2-amino-3-phenylpropanoate;methyl (2S)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoate;1,3-thiazole-4-carbaldehyde;hydrochloride
CID 159708622
3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propan-1-ol
CID 63261586

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxamide?
The IUPAC name of N-methyl-1-[3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxamide (CID 67497365) is N-methyl-1-[3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for N-methyl-1-[3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for N-methyl-1-[3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxamide is CNC(=O)c1cc(-c2ccncc2)cc2c1CCN2C(=O)C(Cc1ccccc1)NCc1cscn1.
What is the InChIKey of N-methyl-1-[3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxamide?
The InChIKey is GFYHSLUQGHFFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O2S/c1-29-27(34)24-14-21(20-7-10-30-11-8-20)15-26-23(24)9-12-33(26)28(35)25(13-19-5-3-2-4-6-19)31-16-22-17-36-18-32-22/h2-8,10-11,14-15,17-18,25,31H,9,12-13,16H2,1H3,(H,29,34).
What are the key properties of N-methyl-1-[3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxamide?
N-methyl-1-[3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxamide has a molecular weight of 497.62 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 67497365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).