N-[(1S)-2-amino-1-(3-methylphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide;N-[(1R)-2-amino-1-(3-methylphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide

C48H48N8O2 — CID 163760152

IUPACN-[(1S)-2-amino-1-(3-methylphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide;N-[(1R)-2-amino-1-(3-methylphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide
SMILESCC1=NCc2ccc(-c3ccnc(C(=O)N[C@@H](CN)c4cccc(C)c4)c3)cc21.CC1=NCc2ccc(-c3ccnc(C(=O)N[C@H](CN)c4cccc(C)c4)c3)cc21
InChIInChI=1S/2C24H24N4O/c2*1-15-4-3-5-19(10-15)23(13-25)28-24(29)22-12-18(8-9-26-22)17-6-7-20-14-27-16(2)21(20)11-17/h2*3-12,23H,13-14,25H2,1-2H3,(H,28,29)/t2*23-/m10/s1
InChIKeyLXMUPEYMORRDLZ-MLIKNUSNSA-N
MW768.97 g/mol
LogP7.62
Rot. Bonds10

About N-[(1S)-2-amino-1-(3-methylphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide;N-[(1R)-2-amino-1-(3-methylphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide

N-[(1S)-2-amino-1-(3-methylphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide;N-[(1R)-2-amino-1-(3-methylphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide (PubChem CID 163760152) has the molecular formula C48H48N8O2 and a molecular weight of 768.97 g/mol. Its IUPAC name is N-[(1S)-2-amino-1-(3-methylphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide;N-[(1R)-2-amino-1-(3-methylphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-amino-1-(3-methylphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide;N-[(1R)-2-amino-1-(3-methylphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide
PubChem CID163760152
Molecular FormulaC48H48N8O2
Molecular Weight768.97 g/mol
Exact Mass768.39
IUPAC NameN-[(1S)-2-amino-1-(3-methylphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide;N-[(1R)-2-amino-1-(3-methylphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide
SMILESCC1=NCc2ccc(-c3ccnc(C(=O)N[C@@H](CN)c4cccc(C)c4)c3)cc21.CC1=NCc2ccc(-c3ccnc(C(=O)N[C@H](CN)c4cccc(C)c4)c3)cc21
InChIInChI=1S/2C24H24N4O/c2*1-15-4-3-5-19(10-15)23(13-25)28-24(29)22-12-18(8-9-26-22)17-6-7-20-14-27-16(2)21(20)11-17/h2*3-12,23H,13-14,25H2,1-2H3,(H,28,29)/t2*23-/m10/s1
InChIKeyLXMUPEYMORRDLZ-MLIKNUSNSA-N
XLogP7.62
TPSA160.74 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.97
LogP ≤ 57.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[(1S)-2-amino-1-(3-methylphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide;N-[(1R)-2-amino-1-(3-methylphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide with MolForge

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Related Compounds

N-[2-amino-1-(3-methylphenyl)ethyl]-2-methoxy-5-(3-methyl-1H-isoindol-5-yl)benzamide
CID 163869699
N-[(1S)-2-[(4-bromobenzoyl)amino]-1-(3-methoxyphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide
CID 167592556
N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide
CID 163427499
N-[2-amino-2-methyl-1-(3-methylphenyl)propyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide
CID 163439112
3-(3-amino-1H-isoindol-5-yl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide
CID 163802313
N-[2-amino-1-(3-methylphenyl)ethyl]-3-(7-methoxy-1H-isoindol-5-yl)benzamide
CID 163680039
N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide
CID 159459998
N-[2-amino-1-(3-methylphenyl)ethyl]-6-(3-methyl-2H-indazol-5-yl)-2,3-dihydro-1H-isoindole-4-carboxamide
CID 163805680
N-[(1S)-2-amino-1-phenylethyl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
CID 159676795
3-(3-fluoro-1H-isoindol-5-yl)-N-[1-(3-fluorophenyl)-2-hydroxyethyl]benzamide
CID 163678461
2-amino-1-(3-methylphenyl)ethanone;N-[2-amino-1-(3-methylphenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide;3-bromobenzoic acid;2-bromo-1-(3-methylphenyl)ethanone;tert-butyl N-[2-amino-2-(3-methylphenyl)ethyl]carbamate;tert-butyl N-[2-[(3-bromobenzoyl)amino]-2-(3-methylphenyl)ethyl]carbamate;tert-butyl N-[2-[[3-(3-methyl-1H-isoindol-5-yl)benzoyl]amino]-2-(3-methylphenyl)ethyl]carbamate;1-(3-methylphenyl)propan-1-one;1-(3-methylphenyl)-2-(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decan-1-yl)ethanone;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole;bromide
CID 163487999
2-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]pyridine-4-carboxamide
CID 114326876

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-amino-1-(3-methylphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide;N-[(1R)-2-amino-1-(3-methylphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide?
The IUPAC name of N-[(1S)-2-amino-1-(3-methylphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide;N-[(1R)-2-amino-1-(3-methylphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide (CID 163760152) is N-[(1S)-2-amino-1-(3-methylphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide;N-[(1R)-2-amino-1-(3-methylphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(1S)-2-amino-1-(3-methylphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide;N-[(1R)-2-amino-1-(3-methylphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[(1S)-2-amino-1-(3-methylphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide;N-[(1R)-2-amino-1-(3-methylphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide is CC1=NCc2ccc(-c3ccnc(C(=O)N[C@@H](CN)c4cccc(C)c4)c3)cc21.CC1=NCc2ccc(-c3ccnc(C(=O)N[C@H](CN)c4cccc(C)c4)c3)cc21.
What is the InChIKey of N-[(1S)-2-amino-1-(3-methylphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide;N-[(1R)-2-amino-1-(3-methylphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide?
The InChIKey is LXMUPEYMORRDLZ-MLIKNUSNSA-N. The full InChI is InChI=1S/2C24H24N4O/c2*1-15-4-3-5-19(10-15)23(13-25)28-24(29)22-12-18(8-9-26-22)17-6-7-20-14-27-16(2)21(20)11-17/h2*3-12,23H,13-14,25H2,1-2H3,(H,28,29)/t2*23-/m10/s1.
What are the key properties of N-[(1S)-2-amino-1-(3-methylphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide;N-[(1R)-2-amino-1-(3-methylphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide?
N-[(1S)-2-amino-1-(3-methylphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide;N-[(1R)-2-amino-1-(3-methylphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide has a molecular weight of 768.97 g/mol, XLogP of 7.62, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-amino-1-(3-methylphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide;N-[(1R)-2-amino-1-(3-methylphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 163760152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).