N-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]pyrazine-2-carboxamide

C19H17N3OS — CID 41135189

IUPACN-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]pyrazine-2-carboxamide
SMILESO=C(N[C@H](c1ccc2c(c1)CCC2)c1cccs1)c1cnccn1
InChIInChI=1S/C19H17N3OS/c23-19(16-12-20-8-9-21-16)22-18(17-5-2-10-24-17)15-7-6-13-3-1-4-14(13)11-15/h2,5-12,18H,1,3-4H2,(H,22,23)/t18-/m1/s1
InChIKeyAIRFGUUIGURGTK-GOSISDBHSA-N
MW335.43 g/mol
LogP3.55
Rot. Bonds4

About N-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]pyrazine-2-carboxamide

N-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]pyrazine-2-carboxamide (PubChem CID 41135189) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]pyrazine-2-carboxamide
PubChem CID41135189
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC NameN-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]pyrazine-2-carboxamide
SMILESO=C(N[C@H](c1ccc2c(c1)CCC2)c1cccs1)c1cnccn1
InChIInChI=1S/C19H17N3OS/c23-19(16-12-20-8-9-21-16)22-18(17-5-2-10-24-17)15-7-6-13-3-1-4-14(13)11-15/h2,5-12,18H,1,3-4H2,(H,22,23)/t18-/m1/s1
InChIKeyAIRFGUUIGURGTK-GOSISDBHSA-N
XLogP3.55
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide
CID 31709977
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]pyrazine-2-carboxamide
CID 108796805
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
1-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-3-methylthiourea
CID 92534650
N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazine-2-carboxamide
CID 110792487
N-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]ethanamine
CID 43416858
(3R)-3-acetamido-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-3-thiophen-2-ylpropanamide
CID 51929437
3-(2,5-dioxopyrrolidin-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide
CID 55453255
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-[(Z)-thiophen-2-ylmethylideneamino]pyrazine-2-carboxamide
CID 5395279

Frequently Asked Questions

What is the IUPAC name of N-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]pyrazine-2-carboxamide (CID 41135189) is N-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]pyrazine-2-carboxamide is O=C(N[C@H](c1ccc2c(c1)CCC2)c1cccs1)c1cnccn1.
What is the InChIKey of N-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is AIRFGUUIGURGTK-GOSISDBHSA-N. The full InChI is InChI=1S/C19H17N3OS/c23-19(16-12-20-8-9-21-16)22-18(17-5-2-10-24-17)15-7-6-13-3-1-4-14(13)11-15/h2,5-12,18H,1,3-4H2,(H,22,23)/t18-/m1/s1.
What are the key properties of N-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]pyrazine-2-carboxamide?
N-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 41135189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).