N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide

C17H21N3O2S — CID 3241321

IUPACN-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1cccnc1)C(c1cccs1)N1CCOCC1
InChIInChI=1S/C17H21N3O2S/c1-13(19-17(21)14-4-2-6-18-12-14)16(15-5-3-11-23-15)20-7-9-22-10-8-20/h2-6,11-13,16H,7-10H2,1H3,(H,19,21)
InChIKeyFIXFOSCMJBWJMJ-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.33
Rot. Bonds5

About N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide

N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide (PubChem CID 3241321) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
PubChem CID3241321
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1cccnc1)C(c1cccs1)N1CCOCC1
InChIInChI=1S/C17H21N3O2S/c1-13(19-17(21)14-4-2-6-18-12-14)16(15-5-3-11-23-15)20-7-9-22-10-8-20/h2-6,11-13,16H,7-10H2,1H3,(H,19,21)
InChIKeyFIXFOSCMJBWJMJ-UHFFFAOYSA-N
XLogP2.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide
CID 92665827
N-[(1S,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide
CID 29181317
N-[(1R,2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide
CID 92666009
N'-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]-N-(pyridin-3-ylmethyl)oxamide
CID 92665752
N-[(1R,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide
CID 92666033
2,2-dimethyl-N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]propanamide
CID 7110530
N-[(1R,2R)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]pyridine-4-carboxamide
CID 92665829
4-ethoxy-N-[(1R,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzamide
CID 7110616
4-ethoxy-N-[(1R,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzamide
CID 7110612
N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide
CID 29181274
phenyl N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)carbamate
CID 3239939
phenyl N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]carbamate
CID 28820776

Frequently Asked Questions

What is the IUPAC name of N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide (CID 3241321) is N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide is CC(NC(=O)c1cccnc1)C(c1cccs1)N1CCOCC1.
What is the InChIKey of N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide?
The InChIKey is FIXFOSCMJBWJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-13(19-17(21)14-4-2-6-18-12-14)16(15-5-3-11-23-15)20-7-9-22-10-8-20/h2-6,11-13,16H,7-10H2,1H3,(H,19,21).
What are the key properties of N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide?
N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 3241321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).