N-(4-phenoxyphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide

C21H21N3O2 — CID 109201642

IUPACN-(4-phenoxyphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
SMILESCC(C)Nc1ccnc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C21H21N3O2/c1-15(2)23-17-12-13-22-20(14-17)21(25)24-16-8-10-19(11-9-16)26-18-6-4-3-5-7-18/h3-15H,1-2H3,(H,22,23)(H,24,25)
InChIKeyFKOJPYIFFLFFEV-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.95
Rot. Bonds6

About N-(4-phenoxyphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide

N-(4-phenoxyphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide (PubChem CID 109201642) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
PubChem CID109201642
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-(4-phenoxyphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
SMILESCC(C)Nc1ccnc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C21H21N3O2/c1-15(2)23-17-12-13-22-20(14-17)21(25)24-16-8-10-19(11-9-16)26-18-6-4-3-5-7-18/h3-15H,1-2H3,(H,22,23)(H,24,25)
InChIKeyFKOJPYIFFLFFEV-UHFFFAOYSA-N
XLogP4.95
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201597
N-(4-ethoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210831
N-(4-cyanophenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201674
N-(3,5-dimethylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201582
4-(butan-2-ylamino)-N-phenylpyridine-2-carboxamide
CID 109203508
4-N,4-N-diethyl-2-N-(4-phenoxyphenyl)pyridine-2,4-dicarboxamide
CID 109088859
N-(4-acetylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210842
N-(2-tert-butylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201594
N-phenyl-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179724
4-(3-methoxyanilino)-N-phenylpyridine-2-carboxamide
CID 109218773
N-phenyl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide
CID 109218754
4-(3-methoxyanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109221601

Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-(4-phenoxyphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide (CID 109201642) is N-(4-phenoxyphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-phenoxyphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-phenoxyphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide is CC(C)Nc1ccnc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of N-(4-phenoxyphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide?
The InChIKey is FKOJPYIFFLFFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-15(2)23-17-12-13-22-20(14-17)21(25)24-16-8-10-19(11-9-16)26-18-6-4-3-5-7-18/h3-15H,1-2H3,(H,22,23)(H,24,25).
What are the key properties of N-(4-phenoxyphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide?
N-(4-phenoxyphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109201642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).