6-[1-(quinolin-5-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide

C23H21N5OS — CID 110252930

IUPAC6-[1-(quinolin-5-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESO=C(Nc1nccs1)c1cccc(C2CCCN2Cc2cccc3ncccc23)n1
InChIInChI=1S/C23H21N5OS/c29-22(27-23-25-12-14-30-23)20-9-2-8-19(26-20)21-10-4-13-28(21)15-16-5-1-7-18-17(16)6-3-11-24-18/h1-3,5-9,11-12,14,21H,4,10,13,15H2,(H,25,27,29)
InChIKeyOBWNSNGPWYROSM-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.68
Rot. Bonds5

About 6-[1-(quinolin-5-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide

6-[1-(quinolin-5-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide (PubChem CID 110252930) has the molecular formula C23H21N5OS and a molecular weight of 415.52 g/mol. Its IUPAC name is 6-[1-(quinolin-5-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[1-(quinolin-5-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
PubChem CID110252930
Molecular FormulaC23H21N5OS
Molecular Weight415.52 g/mol
Exact Mass415.15
IUPAC Name6-[1-(quinolin-5-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESO=C(Nc1nccs1)c1cccc(C2CCCN2Cc2cccc3ncccc23)n1
InChIInChI=1S/C23H21N5OS/c29-22(27-23-25-12-14-30-23)20-9-2-8-19(26-20)21-10-4-13-28(21)15-16-5-1-7-18-17(16)6-3-11-24-18/h1-3,5-9,11-12,14,21H,4,10,13,15H2,(H,25,27,29)
InChIKeyOBWNSNGPWYROSM-UHFFFAOYSA-N
XLogP4.68
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1-propan-2-ylpyrrolidin-2-yl)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 110253678
2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 95817937
N-pyrazin-2-yl-6-[(2R)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]pyridine-2-carboxamide
CID 124953425
2-naphthalen-1-yl-N-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 91300262
N-[[6-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125007878
[(2S)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-quinolin-5-ylmethanone
CID 95832670
morpholin-4-yl-[(2S)-1-(quinolin-5-ylmethyl)pyrrolidin-2-yl]methanone
CID 77081618
5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 31105543
6-[(2R)-1-(2-hydroxyethyl)pyrrolidin-2-yl]-N-methylpyridine-2-carboxamide
CID 124980249
6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-pyrazin-2-ylpyridine-2-carboxamide
CID 110089721
4-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-N-(1,3-thiazol-2-yl)benzamide
CID 95121025
N-[2-methyl-6-[1-(quinolin-5-ylmethyl)pyrrolidin-3-yl]-4-pyridinyl]-1,3-thiazol-2-amine
CID 110093562

Frequently Asked Questions

What is the IUPAC name of 6-[1-(quinolin-5-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 6-[1-(quinolin-5-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide (CID 110252930) is 6-[1-(quinolin-5-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[1-(quinolin-5-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-[1-(quinolin-5-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide is O=C(Nc1nccs1)c1cccc(C2CCCN2Cc2cccc3ncccc23)n1.
What is the InChIKey of 6-[1-(quinolin-5-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is OBWNSNGPWYROSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5OS/c29-22(27-23-25-12-14-30-23)20-9-2-8-19(26-20)21-10-4-13-28(21)15-16-5-1-7-18-17(16)6-3-11-24-18/h1-3,5-9,11-12,14,21H,4,10,13,15H2,(H,25,27,29).
What are the key properties of 6-[1-(quinolin-5-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
6-[1-(quinolin-5-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(quinolin-5-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 110252930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).