N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide

C17H22N4OS — CID 126794943

IUPACN-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESCCc1nc(C(C)NC(=O)c2cc(N3CCCC3)ccn2)cs1
InChIInChI=1S/C17H22N4OS/c1-3-16-20-15(11-23-16)12(2)19-17(22)14-10-13(6-7-18-14)21-8-4-5-9-21/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,19,22)
InChIKeyJEVJNVBABUBHQX-UHFFFAOYSA-N
MW330.46 g/mol
LogP3.19
Rot. Bonds5

About N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide

N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide (PubChem CID 126794943) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
PubChem CID126794943
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC NameN-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESCCc1nc(C(C)NC(=O)c2cc(N3CCCC3)ccn2)cs1
InChIInChI=1S/C17H22N4OS/c1-3-16-20-15(11-23-16)12(2)19-17(22)14-10-13(6-7-18-14)21-8-4-5-9-21/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,19,22)
InChIKeyJEVJNVBABUBHQX-UHFFFAOYSA-N
XLogP3.19
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1R)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 99117209
5-[1-(2-ethyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 119128262
3-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
CID 126782459
4-(4-acetylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 109201306
4-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
CID 56910861
N-(4-ethylphenyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204642
N-butan-2-yl-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109203312
2-cyclopentyl-N-[(1R)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 95620387
4-(4-formylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 109201305
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 119886508
4-(azepan-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide
CID 109218647
5-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylbenzamide;dihydrochloride
CID 120646852

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The IUPAC name of N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide (CID 126794943) is N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide is CCc1nc(C(C)NC(=O)c2cc(N3CCCC3)ccn2)cs1.
What is the InChIKey of N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The InChIKey is JEVJNVBABUBHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-3-16-20-15(11-23-16)12(2)19-17(22)14-10-13(6-7-18-14)21-8-4-5-9-21/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,19,22).
What are the key properties of N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide?
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide has a molecular weight of 330.46 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 126794943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).