6-(4-phenylmethoxyanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

C24H21N3O2S — CID 1447980

IUPAC6-(4-phenylmethoxyanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccs1)c1ccc(Nc2ccc(OCc3ccccc3)cc2)nc1
InChIInChI=1S/C24H21N3O2S/c28-24(26-16-22-7-4-14-30-22)19-8-13-23(25-15-19)27-20-9-11-21(12-10-20)29-17-18-5-2-1-3-6-18/h1-15H,16-17H2,(H,25,27)(H,26,28)
InChIKeyDITPGZFYGKRVEJ-UHFFFAOYSA-N
MW415.52 g/mol
LogP5.40
Rot. Bonds8

About 6-(4-phenylmethoxyanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

6-(4-phenylmethoxyanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 1447980) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is 6-(4-phenylmethoxyanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-phenylmethoxyanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
PubChem CID1447980
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC Name6-(4-phenylmethoxyanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccs1)c1ccc(Nc2ccc(OCc3ccccc3)cc2)nc1
InChIInChI=1S/C24H21N3O2S/c28-24(26-16-22-7-4-14-30-22)19-8-13-23(25-15-19)27-20-9-11-21(12-10-20)29-17-18-5-2-1-3-6-18/h1-15H,16-17H2,(H,25,27)(H,26,28)
InChIKeyDITPGZFYGKRVEJ-UHFFFAOYSA-N
XLogP5.40
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide
CID 109155454
N-(2-phenylethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide
CID 1441278
N-benzyl-6-(4-tert-butylanilino)pyridine-3-carboxamide
CID 109155602
[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-phenylmethoxybenzoate
CID 8734898
4-(1,3-thiazol-4-ylmethoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 35008943
N-[(2-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109156873
N-(furan-2-ylmethyl)-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide
CID 109169297
4-propoxy-N-(thiophen-2-ylmethyl)benzamide
CID 4938538
N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109157012
6-(4-ethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157190
6-phenylmethoxy-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide
CID 112522105
ethyl N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]carbamate
CID 113021244

Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylmethoxyanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-phenylmethoxyanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (CID 1447980) is 6-(4-phenylmethoxyanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-phenylmethoxyanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-phenylmethoxyanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is O=C(NCc1cccs1)c1ccc(Nc2ccc(OCc3ccccc3)cc2)nc1.
What is the InChIKey of 6-(4-phenylmethoxyanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is DITPGZFYGKRVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c28-24(26-16-22-7-4-14-30-22)19-8-13-23(25-15-19)27-20-9-11-21(12-10-20)29-17-18-5-2-1-3-6-18/h1-15H,16-17H2,(H,25,27)(H,26,28).
What are the key properties of 6-(4-phenylmethoxyanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
6-(4-phenylmethoxyanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 5.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylmethoxyanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 1447980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).