2-(2-thiomorpholin-4-ylethylamino)pyridine-3-carboxamide

C12H18N4OS — CID 113234725

IUPAC2-(2-thiomorpholin-4-ylethylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1NCCN1CCSCC1
InChIInChI=1S/C12H18N4OS/c13-11(17)10-2-1-3-14-12(10)15-4-5-16-6-8-18-9-7-16/h1-3H,4-9H2,(H2,13,17)(H,14,15)
InChIKeyLVBIDCCXYKQCHI-UHFFFAOYSA-N
MW266.37 g/mol
LogP0.64
Rot. Bonds5

About 2-(2-thiomorpholin-4-ylethylamino)pyridine-3-carboxamide

2-(2-thiomorpholin-4-ylethylamino)pyridine-3-carboxamide (PubChem CID 113234725) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-(2-thiomorpholin-4-ylethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-thiomorpholin-4-ylethylamino)pyridine-3-carboxamide
PubChem CID113234725
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name2-(2-thiomorpholin-4-ylethylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1NCCN1CCSCC1
InChIInChI=1S/C12H18N4OS/c13-11(17)10-2-1-3-14-12(10)15-4-5-16-6-8-18-9-7-16/h1-3H,4-9H2,(H2,13,17)(H,14,15)
InChIKeyLVBIDCCXYKQCHI-UHFFFAOYSA-N
XLogP0.64
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 9500
(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
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Unii-O3pen5V8WL
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2-Hydroxy nevirapine
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N11-Ethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453308
N11-Cyclopropyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453309
N11-Cyclobutyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453310
N11-Isopropyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453313
4,N11-Diethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453335
8-Substituted Dipyridodiazepinone 5
CID 460390
Dipyridodiazepinone deriv. 21
CID 463148
2-Ethyl-7-methyl-5-(thiomorpholin-4-yl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 463552

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiomorpholin-4-ylethylamino)pyridine-3-carboxamide?
The IUPAC name of 2-(2-thiomorpholin-4-ylethylamino)pyridine-3-carboxamide (CID 113234725) is 2-(2-thiomorpholin-4-ylethylamino)pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-thiomorpholin-4-ylethylamino)pyridine-3-carboxamide?
The canonical SMILES for 2-(2-thiomorpholin-4-ylethylamino)pyridine-3-carboxamide is NC(=O)c1cccnc1NCCN1CCSCC1.
What is the InChIKey of 2-(2-thiomorpholin-4-ylethylamino)pyridine-3-carboxamide?
The InChIKey is LVBIDCCXYKQCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c13-11(17)10-2-1-3-14-12(10)15-4-5-16-6-8-18-9-7-16/h1-3H,4-9H2,(H2,13,17)(H,14,15).
What are the key properties of 2-(2-thiomorpholin-4-ylethylamino)pyridine-3-carboxamide?
2-(2-thiomorpholin-4-ylethylamino)pyridine-3-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiomorpholin-4-ylethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 113234725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).