N-(oxolan-2-ylmethyl)-4-(4-phenoxyanilino)pyridine-2-carboxamide

C23H23N3O3 — CID 109206872

IUPACN-(oxolan-2-ylmethyl)-4-(4-phenoxyanilino)pyridine-2-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(Nc2ccc(Oc3ccccc3)cc2)ccn1
InChIInChI=1S/C23H23N3O3/c27-23(25-16-21-7-4-14-28-21)22-15-18(12-13-24-22)26-17-8-10-20(11-9-17)29-19-5-2-1-3-6-19/h1-3,5-6,8-13,15,21H,4,7,14,16H2,(H,24,26)(H,25,27)
InChIKeyJFIFSWJJYRUXHV-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.53
Rot. Bonds7

About N-(oxolan-2-ylmethyl)-4-(4-phenoxyanilino)pyridine-2-carboxamide

N-(oxolan-2-ylmethyl)-4-(4-phenoxyanilino)pyridine-2-carboxamide (PubChem CID 109206872) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-(4-phenoxyanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-(4-phenoxyanilino)pyridine-2-carboxamide
PubChem CID109206872
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-(oxolan-2-ylmethyl)-4-(4-phenoxyanilino)pyridine-2-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(Nc2ccc(Oc3ccccc3)cc2)ccn1
InChIInChI=1S/C23H23N3O3/c27-23(25-16-21-7-4-14-28-21)22-15-18(12-13-24-22)26-17-8-10-20(11-9-17)29-19-5-2-1-3-6-19/h1-3,5-6,8-13,15,21H,4,7,14,16H2,(H,24,26)(H,25,27)
InChIKeyJFIFSWJJYRUXHV-UHFFFAOYSA-N
XLogP4.53
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206845
4-(3-bromoanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206875
4-(3-chloro-4-methylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206834
4-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206901
4-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 62173174
5-(oxolan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109185242
N-(oxolan-2-ylmethyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109206754
4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 110849466
N-[[(2S)-oxolan-2-yl]methyl]-2-phenoxypyridine-3-carboxamide
CID 32688545
N-(oxolan-2-ylmethyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109300990
2-(oxolan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide
CID 109252640
2-N-(oxolan-2-ylmethyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109083276

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-(4-phenoxyanilino)pyridine-2-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-(4-phenoxyanilino)pyridine-2-carboxamide (CID 109206872) is N-(oxolan-2-ylmethyl)-4-(4-phenoxyanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-(4-phenoxyanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-(4-phenoxyanilino)pyridine-2-carboxamide is O=C(NCC1CCCO1)c1cc(Nc2ccc(Oc3ccccc3)cc2)ccn1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-(4-phenoxyanilino)pyridine-2-carboxamide?
The InChIKey is JFIFSWJJYRUXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-23(25-16-21-7-4-14-28-21)22-15-18(12-13-24-22)26-17-8-10-20(11-9-17)29-19-5-2-1-3-6-19/h1-3,5-6,8-13,15,21H,4,7,14,16H2,(H,24,26)(H,25,27).
What are the key properties of N-(oxolan-2-ylmethyl)-4-(4-phenoxyanilino)pyridine-2-carboxamide?
N-(oxolan-2-ylmethyl)-4-(4-phenoxyanilino)pyridine-2-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4-(4-phenoxyanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109206872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).