2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide

C46H46N6O4 — CID 139136791

IUPAC2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
SMILESC[C@H](NC(=O)c1cccc(C(=O)N[C@H](C)c2ccccc2)n1)c1ccccc1.C[C@H](NC(=O)c1cccc(C(=O)N[C@H](C)c2ccccc2)n1)c1ccccc1
InChIInChI=1S/2C23H23N3O2/c2*1-16(18-10-5-3-6-11-18)24-22(27)20-14-9-15-21(26-20)23(28)25-17(2)19-12-7-4-8-13-19/h2*3-17H,1-2H3,(H,24,27)(H,25,28)/t2*16-,17+
InChIKeyBDIOFFWSJIFNSE-CNGQEUITSA-N
MW746.91 g/mol
LogP8.13
Rot. Bonds12

About 2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide

2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide (PubChem CID 139136791) has the molecular formula C46H46N6O4 and a molecular weight of 746.91 g/mol. Its IUPAC name is 2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
PubChem CID139136791
Molecular FormulaC46H46N6O4
Molecular Weight746.91 g/mol
Exact Mass746.36
IUPAC Name2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
SMILESC[C@H](NC(=O)c1cccc(C(=O)N[C@H](C)c2ccccc2)n1)c1ccccc1.C[C@H](NC(=O)c1cccc(C(=O)N[C@H](C)c2ccccc2)n1)c1ccccc1
InChIInChI=1S/2C23H23N3O2/c2*1-16(18-10-5-3-6-11-18)24-22(27)20-14-9-15-21(26-20)23(28)25-17(2)19-12-7-4-8-13-19/h2*3-17H,1-2H3,(H,24,27)(H,25,28)/t2*16-,17+
InChIKeyBDIOFFWSJIFNSE-CNGQEUITSA-N
XLogP8.13
TPSA142.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.91
LogP ≤ 58.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide with MolForge

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Related Compounds

6-bromo-N-(1-phenylethyl)pyridine-2-carboxamide
CID 103874025
6-(dimethylamino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 84575144
2-N,6-N-bis[1-(4-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide
CID 46430353
2-N-cyclopentyl-6-N-(1-phenylethyl)pyridine-2,6-dicarboxamide
CID 109094954
2-N,6-N-bis[2-[[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]carbamoyl]phenyl]pyridine-2,6-dicarboxamide
CID 102216654
6-N-[1-(4-methylsulfonylphenyl)ethyl]-2-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 25024948
5-methoxy-N-[(1S)-1-phenylethyl]quinoline-2-carboxamide
CID 11312803
2-N-(2-morpholin-4-ylethyl)-6-N-(1-phenylethyl)pyridine-2,6-dicarboxamide
CID 109096436
2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721
2-N,6-N-bis[(1S,2R)-2-hydroxy-1,2-diphenylethyl]pyridine-2,6-dicarboxamide
CID 171379474
N-[1-(4-methoxyphenyl)ethyl]-6-methylpyridine-2-carboxamide
CID 110462509
N-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide
CID 91294472

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide (CID 139136791) is 2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide is C[C@H](NC(=O)c1cccc(C(=O)N[C@H](C)c2ccccc2)n1)c1ccccc1.C[C@H](NC(=O)c1cccc(C(=O)N[C@H](C)c2ccccc2)n1)c1ccccc1.
What is the InChIKey of 2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide?
The InChIKey is BDIOFFWSJIFNSE-CNGQEUITSA-N. The full InChI is InChI=1S/2C23H23N3O2/c2*1-16(18-10-5-3-6-11-18)24-22(27)20-14-9-15-21(26-20)23(28)25-17(2)19-12-7-4-8-13-19/h2*3-17H,1-2H3,(H,24,27)(H,25,28)/t2*16-,17+.
What are the key properties of 2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide?
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide has a molecular weight of 746.91 g/mol, XLogP of 8.13, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 139136791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).