N-[3-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]phenyl]pyridine-3-carboxamide

C19H22N4O3 — CID 55633445

IUPACN-[3-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C19H22N4O3/c1-19(2,3)23-16(24)12-21-17(25)13-6-4-8-15(10-13)22-18(26)14-7-5-9-20-11-14/h4-11H,12H2,1-3H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyICYIIKZODVQWAU-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.98
Rot. Bonds5

About N-[3-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]phenyl]pyridine-3-carboxamide

N-[3-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 55633445) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[3-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID55633445
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[3-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C19H22N4O3/c1-19(2,3)23-16(24)12-21-17(25)13-6-4-8-15(10-13)22-18(26)14-7-5-9-20-11-14/h4-11H,12H2,1-3H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyICYIIKZODVQWAU-UHFFFAOYSA-N
XLogP1.98
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 110705521
N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 30348708
N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926353
N-[3-[3-(aminomethyl)pentan-3-ylcarbamoyl]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119571882
N-[3-(4-tert-butylbenzoyl)phenyl]pyridine-3-carboxamide
CID 100629013
N-[2-(4-methylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705464
1-[[[3-(pyridine-3-carbonylamino)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544310
N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide
CID 39736173
N-[3-[[[2-(2-methoxyanilino)acetyl]amino]carbamoyl]phenyl]pyridine-3-carboxamide
CID 55634332
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 28639773
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]phenyl]pyridine-3-carboxamide (CID 55633445) is N-[3-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]phenyl]pyridine-3-carboxamide is CC(C)(C)NC(=O)CNC(=O)c1cccc(NC(=O)c2cccnc2)c1.
What is the InChIKey of N-[3-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is ICYIIKZODVQWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-19(2,3)23-16(24)12-21-17(25)13-6-4-8-15(10-13)22-18(26)14-7-5-9-20-11-14/h4-11H,12H2,1-3H3,(H,21,25)(H,22,26)(H,23,24).
What are the key properties of N-[3-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]phenyl]pyridine-3-carboxamide?
N-[3-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 55633445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).