N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-6-thiophen-2-ylpyridine-3-carboxamide

C23H24N4O4S — CID 118393455

IUPACN-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-6-thiophen-2-ylpyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3cccs3)nc2)cc1NC(=O)CN1CCOCC1
InChIInChI=1S/C23H24N4O4S/c1-30-20-7-5-17(13-19(20)26-22(28)15-27-8-10-31-11-9-27)25-23(29)16-4-6-18(24-14-16)21-3-2-12-32-21/h2-7,12-14H,8-11,15H2,1H3,(H,25,29)(H,26,28)
InChIKeyNDIGHVHRVPSWKR-UHFFFAOYSA-N
MW452.54 g/mol
LogP3.34
Rot. Bonds7

About N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-6-thiophen-2-ylpyridine-3-carboxamide

N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-6-thiophen-2-ylpyridine-3-carboxamide (PubChem CID 118393455) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-6-thiophen-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-6-thiophen-2-ylpyridine-3-carboxamide
PubChem CID118393455
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC NameN-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-6-thiophen-2-ylpyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3cccs3)nc2)cc1NC(=O)CN1CCOCC1
InChIInChI=1S/C23H24N4O4S/c1-30-20-7-5-17(13-19(20)26-22(28)15-27-8-10-31-11-9-27)25-23(29)16-4-6-18(24-14-16)21-3-2-12-32-21/h2-7,12-14H,8-11,15H2,1H3,(H,25,29)(H,26,28)
InChIKeyNDIGHVHRVPSWKR-UHFFFAOYSA-N
XLogP3.34
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-6-thiophen-2-ylpyridine-3-carboxamide with MolForge

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Related Compounds

6-(4-fluorophenyl)-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide
CID 90464932
4-[4-(aminomethyl)phenyl]-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 90459335
tert-butyl-[4-[4-[[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]carbamoyl]phenyl]phenyl]carbamic acid
CID 118877629
N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 86294150
N-[5-[(2-chlorophenyl)carbamoylamino]-2-methoxyphenyl]-2-morpholin-4-ylacetamide
CID 3568292
N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-methoxyphenyl]-2-morpholin-4-ylacetamide
CID 148797037
4-(3-methoxypropoxy)-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide
CID 86298920
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55791101
N-(5-ethyl-2-methoxyphenyl)-2-morpholin-4-ylacetamide
CID 154733696
N-(3,4-dimethoxyphenyl)-4-thiophen-2-ylbenzamide
CID 1483506
N-(5-acetamido-2-methoxyphenyl)-2-(azocan-1-yl)acetamide
CID 8680244
N-(1,3-benzothiazol-6-yl)-4-methyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide
CID 172661523

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-6-thiophen-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-6-thiophen-2-ylpyridine-3-carboxamide (CID 118393455) is N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-6-thiophen-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-6-thiophen-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-6-thiophen-2-ylpyridine-3-carboxamide is COc1ccc(NC(=O)c2ccc(-c3cccs3)nc2)cc1NC(=O)CN1CCOCC1.
What is the InChIKey of N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-6-thiophen-2-ylpyridine-3-carboxamide?
The InChIKey is NDIGHVHRVPSWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-30-20-7-5-17(13-19(20)26-22(28)15-27-8-10-31-11-9-27)25-23(29)16-4-6-18(24-14-16)21-3-2-12-32-21/h2-7,12-14H,8-11,15H2,1H3,(H,25,29)(H,26,28).
What are the key properties of N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-6-thiophen-2-ylpyridine-3-carboxamide?
N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-6-thiophen-2-ylpyridine-3-carboxamide has a molecular weight of 452.54 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-6-thiophen-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 118393455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).