6-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide

C18H25N5O2S — CID 56760582

IUPAC6-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide
SMILESCCc1csc(CNC(=O)c2ccc(N3C[C@H](O)[C@@H](N(C)C)C3)nc2)n1
InChIInChI=1S/C18H25N5O2S/c1-4-13-11-26-17(21-13)8-20-18(25)12-5-6-16(19-7-12)23-9-14(22(2)3)15(24)10-23/h5-7,11,14-15,24H,4,8-10H2,1-3H3,(H,20,25)/t14-,15-/m0/s1
InChIKeySSMFJLYYOJXTAL-GJZGRUSLSA-N
MW375.50 g/mol
LogP1.14
Rot. Bonds6

About 6-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide

6-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 56760582) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is 6-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide
PubChem CID56760582
Molecular FormulaC18H25N5O2S
Molecular Weight375.50 g/mol
Exact Mass375.17
IUPAC Name6-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide
SMILESCCc1csc(CNC(=O)c2ccc(N3C[C@H](O)[C@@H](N(C)C)C3)nc2)n1
InChIInChI=1S/C18H25N5O2S/c1-4-13-11-26-17(21-13)8-20-18(25)12-5-6-16(19-7-12)23-9-14(22(2)3)15(24)10-23/h5-7,11,14-15,24H,4,8-10H2,1-3H3,(H,20,25)/t14-,15-/m0/s1
InChIKeySSMFJLYYOJXTAL-GJZGRUSLSA-N
XLogP1.14
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-(3-hydroxypiperidin-1-yl)pyridine-3-carboxamide
CID 45209965
6-(3-aminopyrrolidin-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide
CID 56744781
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 56741406
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carboxamide
CID 45244073
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide
CID 95230442
4-[(carbamoylamino)methyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]benzamide
CID 119125481
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 50970588
5-[3-[(4-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]-5-fluorophenyl]pyridine-2-carboxylic acid
CID 170511667
5-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 60725191
2-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide
CID 122558387
N-[[4-[[3-(methylamino)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide
CID 119918242
6-[(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-ethylpyridine-3-carboxamide
CID 129350510

Frequently Asked Questions

What is the IUPAC name of 6-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide (CID 56760582) is 6-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide is CCc1csc(CNC(=O)c2ccc(N3C[C@H](O)[C@@H](N(C)C)C3)nc2)n1.
What is the InChIKey of 6-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is SSMFJLYYOJXTAL-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-4-13-11-26-17(21-13)8-20-18(25)12-5-6-16(19-7-12)23-9-14(22(2)3)15(24)10-23/h5-7,11,14-15,24H,4,8-10H2,1-3H3,(H,20,25)/t14-,15-/m0/s1.
What are the key properties of 6-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide?
6-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 375.50 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 56760582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).