N-[3-(phenylcarbamoylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide

C22H22N4O3 — CID 55688052

IUPACN-[3-(phenylcarbamoylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)Oc1ccc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cn1
InChIInChI=1S/C22H22N4O3/c1-15(2)29-20-12-11-16(14-23-20)21(27)24-18-9-6-10-19(13-18)26-22(28)25-17-7-4-3-5-8-17/h3-15H,1-2H3,(H,24,27)(H2,25,26,28)
InChIKeyLCAJPZKCVDXCII-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.77
Rot. Bonds6

About N-[3-(phenylcarbamoylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide

N-[3-(phenylcarbamoylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide (PubChem CID 55688052) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[3-(phenylcarbamoylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(phenylcarbamoylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
PubChem CID55688052
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-[3-(phenylcarbamoylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)Oc1ccc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cn1
InChIInChI=1S/C22H22N4O3/c1-15(2)29-20-12-11-16(14-23-20)21(27)24-18-9-6-10-19(13-18)26-22(28)25-17-7-4-3-5-8-17/h3-15H,1-2H3,(H,24,27)(H2,25,26,28)
InChIKeyLCAJPZKCVDXCII-UHFFFAOYSA-N
XLogP4.77
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 46460087
6-propan-2-yloxy-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide
CID 51117263
6-methoxy-N-phenylpyridine-3-carboxamide
CID 44512975
N-[4-(dimethylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 86985414
3-[4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]phenyl]propanoic acid
CID 119252399
6-methyl-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 38477101
6-propan-2-yloxy-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]pyridine-3-carboxamide
CID 55880611
N-[3-(morpholine-4-carbonyl)phenyl]-6-[(1R)-1-phenylethoxy]pyridine-3-carboxamide
CID 95146314
N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-(1-phenylethoxy)pyridine-3-carboxamide
CID 47047407
N-[3-(hydroxymethyl)phenyl]-6-methoxypyridine-3-carboxamide
CID 60698682
6-(3,3-dimethylbut-1-ynyl)-N-(3-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 59811370
3-methoxy-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 18153307

Frequently Asked Questions

What is the IUPAC name of N-[3-(phenylcarbamoylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide?
The IUPAC name of N-[3-(phenylcarbamoylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide (CID 55688052) is N-[3-(phenylcarbamoylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide.
What is the SMILES notation for N-[3-(phenylcarbamoylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide?
The canonical SMILES for N-[3-(phenylcarbamoylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide is CC(C)Oc1ccc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cn1.
What is the InChIKey of N-[3-(phenylcarbamoylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide?
The InChIKey is LCAJPZKCVDXCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-15(2)29-20-12-11-16(14-23-20)21(27)24-18-9-6-10-19(13-18)26-22(28)25-17-7-4-3-5-8-17/h3-15H,1-2H3,(H,24,27)(H2,25,26,28).
What are the key properties of N-[3-(phenylcarbamoylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide?
N-[3-(phenylcarbamoylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 4.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(phenylcarbamoylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide is sourced from PubChem (CID 55688052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).