2-N,6-N-bis[2-[[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]carbamoyl]phenyl]pyridine-2,6-dicarboxamide

C51H43N7O6 — CID 102216654

IUPAC2-N,6-N-bis[2-[[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]carbamoyl]phenyl]pyridine-2,6-dicarboxamide
SMILESC[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1NC(=O)c1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C51H43N7O6/c1-32(34-18-5-3-6-19-34)52-46(59)36-22-9-13-26-40(36)55-48(61)38-24-11-15-28-42(38)57-50(63)44-30-17-31-45(54-44)51(64)58-43-29-16-12-25-39(43)49(62)56-41-27-14-10-23-37(41)47(60)53-33(2)35-20-7-4-8-21-35/h3-33H,1-2H3,(H,52,59)(H,53,60)(H,55,61)(H,56,62)(H,57,63)(H,58,64)/t32-,33-/m1/s1
InChIKeyQBTVOYAZAMWAKM-CZNDPXEESA-N
MW849.95 g/mol
LogP9.07
Rot. Bonds14

About 2-N,6-N-bis[2-[[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]carbamoyl]phenyl]pyridine-2,6-dicarboxamide

2-N,6-N-bis[2-[[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]carbamoyl]phenyl]pyridine-2,6-dicarboxamide (PubChem CID 102216654) has the molecular formula C51H43N7O6 and a molecular weight of 849.95 g/mol. Its IUPAC name is 2-N,6-N-bis[2-[[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]carbamoyl]phenyl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis[2-[[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]carbamoyl]phenyl]pyridine-2,6-dicarboxamide
PubChem CID102216654
Molecular FormulaC51H43N7O6
Molecular Weight849.95 g/mol
Exact Mass849.33
IUPAC Name2-N,6-N-bis[2-[[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]carbamoyl]phenyl]pyridine-2,6-dicarboxamide
SMILESC[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1NC(=O)c1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C51H43N7O6/c1-32(34-18-5-3-6-19-34)52-46(59)36-22-9-13-26-40(36)55-48(61)38-24-11-15-28-42(38)57-50(63)44-30-17-31-45(54-44)51(64)58-43-29-16-12-25-39(43)49(62)56-41-27-14-10-23-37(41)47(60)53-33(2)35-20-7-4-8-21-35/h3-33H,1-2H3,(H,52,59)(H,53,60)(H,55,61)(H,56,62)(H,57,63)(H,58,64)/t32-,33-/m1/s1
InChIKeyQBTVOYAZAMWAKM-CZNDPXEESA-N
XLogP9.07
TPSA187.49 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500849.95
LogP ≤ 59.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
2-[(2-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 4935078
methyl (2S)-2-[[2-[[2-[[6-[[2-[[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]carbamoyl]phenyl]carbamoyl]pyridine-2-carbonyl]amino]benzoyl]amino]benzoyl]amino]propanoate
CID 102216653
2-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248479
2-[(3-iodobenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 98112407
2,4-dimethyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]benzamide
CID 26242918
3-methoxy-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]naphthalene-2-carboxamide
CID 92674914
2-methylsulfanyl-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 25486041
2-(3-chloropropanoylamino)-N-(1-phenylethyl)benzamide
CID 4157890
2-[(4-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 2943396
2-[(3-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 54790772
2-[(2-phenylacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 1210513

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis[2-[[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]carbamoyl]phenyl]pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis[2-[[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]carbamoyl]phenyl]pyridine-2,6-dicarboxamide (CID 102216654) is 2-N,6-N-bis[2-[[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]carbamoyl]phenyl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis[2-[[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]carbamoyl]phenyl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis[2-[[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]carbamoyl]phenyl]pyridine-2,6-dicarboxamide is C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1NC(=O)c1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)n1)c1ccccc1.
What is the InChIKey of 2-N,6-N-bis[2-[[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]carbamoyl]phenyl]pyridine-2,6-dicarboxamide?
The InChIKey is QBTVOYAZAMWAKM-CZNDPXEESA-N. The full InChI is InChI=1S/C51H43N7O6/c1-32(34-18-5-3-6-19-34)52-46(59)36-22-9-13-26-40(36)55-48(61)38-24-11-15-28-42(38)57-50(63)44-30-17-31-45(54-44)51(64)58-43-29-16-12-25-39(43)49(62)56-41-27-14-10-23-37(41)47(60)53-33(2)35-20-7-4-8-21-35/h3-33H,1-2H3,(H,52,59)(H,53,60)(H,55,61)(H,56,62)(H,57,63)(H,58,64)/t32-,33-/m1/s1.
What are the key properties of 2-N,6-N-bis[2-[[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]carbamoyl]phenyl]pyridine-2,6-dicarboxamide?
2-N,6-N-bis[2-[[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]carbamoyl]phenyl]pyridine-2,6-dicarboxamide has a molecular weight of 849.95 g/mol, XLogP of 9.07, 14 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis[2-[[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]carbamoyl]phenyl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 102216654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).