N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-6-(cyclopropylmethylamino)pyridine-3-carboxamide

C20H21N3O2S — CID 146093968

IUPACN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-6-(cyclopropylmethylamino)pyridine-3-carboxamide
SMILESO=C(NCC(O)c1csc2ccccc12)c1ccc(NCC2CC2)nc1
InChIInChI=1S/C20H21N3O2S/c24-17(16-12-26-18-4-2-1-3-15(16)18)11-23-20(25)14-7-8-19(22-10-14)21-9-13-5-6-13/h1-4,7-8,10,12-13,17,24H,5-6,9,11H2,(H,21,22)(H,23,25)
InChIKeyBCLBSAWIAVEARW-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.58
Rot. Bonds7

About N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-6-(cyclopropylmethylamino)pyridine-3-carboxamide

N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-6-(cyclopropylmethylamino)pyridine-3-carboxamide (PubChem CID 146093968) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-6-(cyclopropylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-6-(cyclopropylmethylamino)pyridine-3-carboxamide
PubChem CID146093968
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-6-(cyclopropylmethylamino)pyridine-3-carboxamide
SMILESO=C(NCC(O)c1csc2ccccc12)c1ccc(NCC2CC2)nc1
InChIInChI=1S/C20H21N3O2S/c24-17(16-12-26-18-4-2-1-3-15(16)18)11-23-20(25)14-7-8-19(22-10-14)21-9-13-5-6-13/h1-4,7-8,10,12-13,17,24H,5-6,9,11H2,(H,21,22)(H,23,25)
InChIKeyBCLBSAWIAVEARW-UHFFFAOYSA-N
XLogP3.58
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]benzamide
CID 100724295
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-phenoxybenzamide
CID 121179463
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 166368235
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(dimethylamino)benzamide
CID 91630827
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,6-difluorobenzamide
CID 100724458
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]furan-2-carboxamide
CID 100724264
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1,3-benzothiazole-2-carboxamide
CID 100724754
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylpropanamide
CID 121179337
(1R)-N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]cyclohex-3-ene-1-carboxamide
CID 100725124
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-methyl-3-nitrobenzamide
CID 121179411
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-cyclopentylsulfanylacetamide
CID 91630824
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-methyltriazole-4-carboxamide
CID 100725217

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-6-(cyclopropylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-6-(cyclopropylmethylamino)pyridine-3-carboxamide (CID 146093968) is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-6-(cyclopropylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-6-(cyclopropylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-6-(cyclopropylmethylamino)pyridine-3-carboxamide is O=C(NCC(O)c1csc2ccccc12)c1ccc(NCC2CC2)nc1.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-6-(cyclopropylmethylamino)pyridine-3-carboxamide?
The InChIKey is BCLBSAWIAVEARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c24-17(16-12-26-18-4-2-1-3-15(16)18)11-23-20(25)14-7-8-19(22-10-14)21-9-13-5-6-13/h1-4,7-8,10,12-13,17,24H,5-6,9,11H2,(H,21,22)(H,23,25).
What are the key properties of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-6-(cyclopropylmethylamino)pyridine-3-carboxamide?
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-6-(cyclopropylmethylamino)pyridine-3-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 3.58, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-6-(cyclopropylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 146093968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).