1-[[4-(ethylamino)-2-pyridinyl]methyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C16H21N5OS — CID 71908789

IUPAC1-[[4-(ethylamino)-2-pyridinyl]methyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCCNc1ccnc(CN2CCCC2C(=O)Nc2nccs2)c1
InChIInChI=1S/C16H21N5OS/c1-2-17-12-5-6-18-13(10-12)11-21-8-3-4-14(21)15(22)20-16-19-7-9-23-16/h5-7,9-10,14H,2-4,8,11H2,1H3,(H,17,18)(H,19,20,22)
InChIKeyADUWQFOKKHKBDF-UHFFFAOYSA-N
MW331.45 g/mol
LogP2.57
Rot. Bonds6

About 1-[[4-(ethylamino)-2-pyridinyl]methyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

1-[[4-(ethylamino)-2-pyridinyl]methyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 71908789) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is 1-[[4-(ethylamino)-2-pyridinyl]methyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[4-(ethylamino)-2-pyridinyl]methyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID71908789
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC Name1-[[4-(ethylamino)-2-pyridinyl]methyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCCNc1ccnc(CN2CCCC2C(=O)Nc2nccs2)c1
InChIInChI=1S/C16H21N5OS/c1-2-17-12-5-6-18-13(10-12)11-21-8-3-4-14(21)15(22)20-16-19-7-9-23-16/h5-7,9-10,14H,2-4,8,11H2,1H3,(H,17,18)(H,19,20,22)
InChIKeyADUWQFOKKHKBDF-UHFFFAOYSA-N
XLogP2.57
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-((2,2-Dimethylpropanoyl)amino)-N-1,3-thiazol-2-ylpyridine-2-carboxamide
CID 11120251
2-(2-((6-methylpyridin-2-yl)amino)thiazol-4-yl)-N-(5-methylthiazol-2-yl)acetamide
CID 49677967
N-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 2463754
2-Amino-5-thio-substituted thiazole 61
CID 5329697
3-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 2594420
N-[4'-methyl-2-(2-pyridinylamino)-4,5'-bi-1,3-thiazol-2'-yl]propanamide
CID 755435
Pyridine-2-carboxylic acid thiazol-2-ylamide
CID 1070711
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-(pyridin-2-yl)thiazol-2-yl)acetamide
CID 4123400
(2S)-1-N-[4-methyl-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 44129200
(S)-N1-(5-(2-(Tert-butyl)pyridin-4-YL)-4-methylthiazol-2-YL)pyrrolidine-1,2-dicarboxamide
CID 46932297
(2S)-1-N-[5-[2-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 59293648
(2S)-1-N-[4-methyl-5-[2-(1-methylcyclopropyl)pyrimidin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 59293676

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(ethylamino)-2-pyridinyl]methyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[[4-(ethylamino)-2-pyridinyl]methyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 71908789) is 1-[[4-(ethylamino)-2-pyridinyl]methyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[4-(ethylamino)-2-pyridinyl]methyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[4-(ethylamino)-2-pyridinyl]methyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is CCNc1ccnc(CN2CCCC2C(=O)Nc2nccs2)c1.
What is the InChIKey of 1-[[4-(ethylamino)-2-pyridinyl]methyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is ADUWQFOKKHKBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-2-17-12-5-6-18-13(10-12)11-21-8-3-4-14(21)15(22)20-16-19-7-9-23-16/h5-7,9-10,14H,2-4,8,11H2,1H3,(H,17,18)(H,19,20,22).
What are the key properties of 1-[[4-(ethylamino)-2-pyridinyl]methyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
1-[[4-(ethylamino)-2-pyridinyl]methyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 331.45 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(ethylamino)-2-pyridinyl]methyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 71908789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).