N-[1-[2,6-bis(2-phenylethyl)phenyl]ethyl]pyridine-2-carboxamide

C30H30N2O — CID 72711534

IUPACN-[1-[2,6-bis(2-phenylethyl)phenyl]ethyl]pyridine-2-carboxamide
SMILESCC(NC(=O)c1ccccn1)c1c(CCc2ccccc2)cccc1CCc1ccccc1
InChIInChI=1S/C30H30N2O/c1-23(32-30(33)28-17-8-9-22-31-28)29-26(20-18-24-11-4-2-5-12-24)15-10-16-27(29)21-19-25-13-6-3-7-14-25/h2-17,22-23H,18-21H2,1H3,(H,32,33)
InChIKeyXMKVDYPCMFUKCZ-UHFFFAOYSA-N
MW434.58 g/mol
LogP6.14
Rot. Bonds9

About N-[1-[2,6-bis(2-phenylethyl)phenyl]ethyl]pyridine-2-carboxamide

N-[1-[2,6-bis(2-phenylethyl)phenyl]ethyl]pyridine-2-carboxamide (PubChem CID 72711534) has the molecular formula C30H30N2O and a molecular weight of 434.58 g/mol. Its IUPAC name is N-[1-[2,6-bis(2-phenylethyl)phenyl]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2,6-bis(2-phenylethyl)phenyl]ethyl]pyridine-2-carboxamide
PubChem CID72711534
Molecular FormulaC30H30N2O
Molecular Weight434.58 g/mol
Exact Mass434.24
IUPAC NameN-[1-[2,6-bis(2-phenylethyl)phenyl]ethyl]pyridine-2-carboxamide
SMILESCC(NC(=O)c1ccccn1)c1c(CCc2ccccc2)cccc1CCc1ccccc1
InChIInChI=1S/C30H30N2O/c1-23(32-30(33)28-17-8-9-22-31-28)29-26(20-18-24-11-4-2-5-12-24)15-10-16-27(29)21-19-25-13-6-3-7-14-25/h2-17,22-23H,18-21H2,1H3,(H,32,33)
InChIKeyXMKVDYPCMFUKCZ-UHFFFAOYSA-N
XLogP6.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,6-dipropylphenyl)ethyl]pyridine-2-carboxamide
CID 135058789
N-[1-[2,6-bis(2-methylpropyl)phenyl]ethyl]pyridine-2-carboxamide
CID 72711320
N-(1-oxo-4-phenylbutan-2-yl)pyridine-2-carboxamide
CID 134998602
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
CID 103722949
N-[1-[methoxy(methyl)amino]-1-oxo-4-phenylbutan-2-yl]pyridine-2-carboxamide
CID 134998800
N-[(1S)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 26907997
N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 26907996
N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-2-carboxamide
CID 55169382
(2R,3S)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054092
(2R,3R)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054086
N-(2,6-diethylphenyl)pyridine-2-carboxamide
CID 19224278
N-(1-phenylpropyl)pyridine-2-carboxamide
CID 5305559

Frequently Asked Questions

What is the IUPAC name of N-[1-[2,6-bis(2-phenylethyl)phenyl]ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[2,6-bis(2-phenylethyl)phenyl]ethyl]pyridine-2-carboxamide (CID 72711534) is N-[1-[2,6-bis(2-phenylethyl)phenyl]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[2,6-bis(2-phenylethyl)phenyl]ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[2,6-bis(2-phenylethyl)phenyl]ethyl]pyridine-2-carboxamide is CC(NC(=O)c1ccccn1)c1c(CCc2ccccc2)cccc1CCc1ccccc1.
What is the InChIKey of N-[1-[2,6-bis(2-phenylethyl)phenyl]ethyl]pyridine-2-carboxamide?
The InChIKey is XMKVDYPCMFUKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O/c1-23(32-30(33)28-17-8-9-22-31-28)29-26(20-18-24-11-4-2-5-12-24)15-10-16-27(29)21-19-25-13-6-3-7-14-25/h2-17,22-23H,18-21H2,1H3,(H,32,33).
What are the key properties of N-[1-[2,6-bis(2-phenylethyl)phenyl]ethyl]pyridine-2-carboxamide?
N-[1-[2,6-bis(2-phenylethyl)phenyl]ethyl]pyridine-2-carboxamide has a molecular weight of 434.58 g/mol, XLogP of 6.14, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2,6-bis(2-phenylethyl)phenyl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 72711534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).