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

C22H30N2O — CID 72711320

IUPACN-[1-[2,6-bis(2-methylpropyl)phenyl]ethyl]pyridine-2-carboxamide
SMILESCC(C)Cc1cccc(CC(C)C)c1C(C)NC(=O)c1ccccn1
InChIInChI=1S/C22H30N2O/c1-15(2)13-18-9-8-10-19(14-16(3)4)21(18)17(5)24-22(25)20-11-6-7-12-23-20/h6-12,15-17H,13-14H2,1-5H3,(H,24,25)
InChIKeyLOUIUKJMLFRZNB-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.97
Rot. Bonds7

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

N-[1-[2,6-bis(2-methylpropyl)phenyl]ethyl]pyridine-2-carboxamide (PubChem CID 72711320) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is N-[1-[2,6-bis(2-methylpropyl)phenyl]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2,6-bis(2-methylpropyl)phenyl]ethyl]pyridine-2-carboxamide
PubChem CID72711320
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC NameN-[1-[2,6-bis(2-methylpropyl)phenyl]ethyl]pyridine-2-carboxamide
SMILESCC(C)Cc1cccc(CC(C)C)c1C(C)NC(=O)c1ccccn1
InChIInChI=1S/C22H30N2O/c1-15(2)13-18-9-8-10-19(14-16(3)4)21(18)17(5)24-22(25)20-11-6-7-12-23-20/h6-12,15-17H,13-14H2,1-5H3,(H,24,25)
InChIKeyLOUIUKJMLFRZNB-UHFFFAOYSA-N
XLogP4.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.97
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-phenylethyl)phenyl]ethyl]pyridine-2-carboxamide
CID 72711534
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
CID 103722949
N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 26907996
N-[(1S)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 26907997
N-(2,6-diethylphenyl)pyridine-2-carboxamide
CID 19224278
6-methyl-3-(pyridine-2-carbonylamino)heptanoic acid
CID 134329104
N-[(1S)-1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 39853258
N-[(1R)-1-naphthalen-2-ylethyl]pyridine-2-carboxamide
CID 26084577
N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 16966659
N-(1-cyanopropan-2-yl)pyridine-2-carboxamide
CID 62090992
N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 43392707

Frequently Asked Questions

What is the IUPAC name of N-[1-[2,6-bis(2-methylpropyl)phenyl]ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[2,6-bis(2-methylpropyl)phenyl]ethyl]pyridine-2-carboxamide (CID 72711320) is N-[1-[2,6-bis(2-methylpropyl)phenyl]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[2,6-bis(2-methylpropyl)phenyl]ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[2,6-bis(2-methylpropyl)phenyl]ethyl]pyridine-2-carboxamide is CC(C)Cc1cccc(CC(C)C)c1C(C)NC(=O)c1ccccn1.
What is the InChIKey of N-[1-[2,6-bis(2-methylpropyl)phenyl]ethyl]pyridine-2-carboxamide?
The InChIKey is LOUIUKJMLFRZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-15(2)13-18-9-8-10-19(14-16(3)4)21(18)17(5)24-22(25)20-11-6-7-12-23-20/h6-12,15-17H,13-14H2,1-5H3,(H,24,25).
What are the key properties of N-[1-[2,6-bis(2-methylpropyl)phenyl]ethyl]pyridine-2-carboxamide?
N-[1-[2,6-bis(2-methylpropyl)phenyl]ethyl]pyridine-2-carboxamide has a molecular weight of 338.50 g/mol, XLogP of 4.97, 7 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-methylpropyl)phenyl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 72711320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).