N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide

C21H20N2OS — CID 31709977

IUPACN-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide
SMILESO=C(N[C@H](c1ccc2c(c1)CCCC2)c1cccs1)c1cccnc1
InChIInChI=1S/C21H20N2OS/c24-21(18-7-3-11-22-14-18)23-20(19-8-4-12-25-19)17-10-9-15-5-1-2-6-16(15)13-17/h3-4,7-14,20H,1-2,5-6H2,(H,23,24)/t20-/m1/s1
InChIKeyMXPPSMFGZLAPOM-HXUWFJFHSA-N
MW348.47 g/mol
LogP4.54
Rot. Bonds4

About N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide

N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 31709977) has the molecular formula C21H20N2OS and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide
PubChem CID31709977
Molecular FormulaC21H20N2OS
Molecular Weight348.47 g/mol
Exact Mass348.13
IUPAC NameN-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide
SMILESO=C(N[C@H](c1ccc2c(c1)CCCC2)c1cccs1)c1cccnc1
InChIInChI=1S/C21H20N2OS/c24-21(18-7-3-11-22-14-18)23-20(19-8-4-12-25-19)17-10-9-15-5-1-2-6-16(15)13-17/h3-4,7-14,20H,1-2,5-6H2,(H,23,24)/t20-/m1/s1
InChIKeyMXPPSMFGZLAPOM-HXUWFJFHSA-N
XLogP4.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]pyrazine-2-carboxamide
CID 42923118
N-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]pyrazine-2-carboxamide
CID 41135189
6-oxo-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide
CID 31981369
N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]cyclopropanecarboxamide
CID 24553065
2-(pyridine-3-carbonylamino)-2-thiophen-2-ylacetic acid
CID 113278603
3-(2,5-dioxopyrrolidin-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide
CID 55453255
(3R)-3-acetamido-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-3-thiophen-2-ylpropanamide
CID 51929437
N-[(1R,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide
CID 92665827
1-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-3-methylthiourea
CID 92534650
3-(3,5-dimethylpyrazol-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide
CID 55501382
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(S)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide
CID 31981402
N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 24553086

Frequently Asked Questions

What is the IUPAC name of N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide (CID 31709977) is N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide is O=C(N[C@H](c1ccc2c(c1)CCCC2)c1cccs1)c1cccnc1.
What is the InChIKey of N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is MXPPSMFGZLAPOM-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H20N2OS/c24-21(18-7-3-11-22-14-18)23-20(19-8-4-12-25-19)17-10-9-15-5-1-2-6-16(15)13-17/h3-4,7-14,20H,1-2,5-6H2,(H,23,24)/t20-/m1/s1.
What are the key properties of N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide?
N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 31709977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).