N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]pyridine-2-carboxamide

C21H21N3O4S — CID 1441354

IUPACN-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]pyridine-2-carboxamide
SMILESCCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=O)c1ccccn1
InChIInChI=1S/C21H21N3O4S/c1-3-27-17-13-16(24-21(26)19-9-7-11-29-19)18(28-4-2)12-15(17)23-20(25)14-8-5-6-10-22-14/h5-13H,3-4H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyQRJNXTLXABQYSA-UHFFFAOYSA-N
MW411.48 g/mol
LogP4.45
Rot. Bonds8

About N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]pyridine-2-carboxamide

N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]pyridine-2-carboxamide (PubChem CID 1441354) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]pyridine-2-carboxamide
PubChem CID1441354
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC NameN-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]pyridine-2-carboxamide
SMILESCCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=O)c1ccccn1
InChIInChI=1S/C21H21N3O4S/c1-3-27-17-13-16(24-21(26)19-9-7-11-29-19)18(28-4-2)12-15(17)23-20(25)14-8-5-6-10-22-14/h5-13H,3-4H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyQRJNXTLXABQYSA-UHFFFAOYSA-N
XLogP4.45
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

IRAK inhibitor 6
CID 44449392
1-Methyl-4-[3-[3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]-2,3-dihydropyrido[3,2-e][1,4]diazepin-5-one
CID 142566976
Pyridine-2-carboxylic acid [4-(cyclopropanecarbonyl-amino)-2,5-diethoxy-phenyl]-amide
CID 646547
N''-[2,5-dimethoxy-4-(2-thenoylamino)phenyl]-N-(6-quinolyl)succinamide
CID 1139085
N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide
CID 1172886
N-(4-benzamido-2,5-diethoxyphenyl)pyridine-2-carboxamide
CID 3206754
N-(2,5-diethoxyphenyl)-2-[(2-pyridin-2-ylethyl)thio]acetamide
CID 3275371
N-(2,5-diethoxyphenyl)-3-[(2-pyridin-2-ylethyl)thio]propanamide
CID 4600210
Pyridine-2-carboxylic acid [2,5-diethoxy-4-(3-methyl-butyrylamino)-phenyl]-amide
CID 652015
N'-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(pyridin-2-ylmethyl)butanediamide
CID 1135915
N-[2,5-diethoxy-4-[(4-methylbenzoyl)amino]phenyl]pyridine-2-carboxamide
CID 1441369
N-[2,5-diethoxy-4-[(3-methylbenzoyl)amino]phenyl]pyridine-2-carboxamide
CID 1441392

Frequently Asked Questions

What is the IUPAC name of N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]pyridine-2-carboxamide (CID 1441354) is N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]pyridine-2-carboxamide is CCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=O)c1ccccn1.
What is the InChIKey of N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]pyridine-2-carboxamide?
The InChIKey is QRJNXTLXABQYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-3-27-17-13-16(24-21(26)19-9-7-11-29-19)18(28-4-2)12-15(17)23-20(25)14-8-5-6-10-22-14/h5-13H,3-4H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]pyridine-2-carboxamide?
N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]pyridine-2-carboxamide has a molecular weight of 411.48 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 1441354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).