N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide

C20H23N5OS — CID 126800848

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide
SMILESCCN1CCCC1CN(Cc1ccncc1)C(=O)c1nc2cccnc2s1
InChIInChI=1S/C20H23N5OS/c1-2-24-12-4-5-16(24)14-25(13-15-7-10-21-11-8-15)20(26)19-23-17-6-3-9-22-18(17)27-19/h3,6-11,16H,2,4-5,12-14H2,1H3
InChIKeyASATZXQVRHPRGG-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.21
Rot. Bonds6

About N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide (PubChem CID 126800848) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide
PubChem CID126800848
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide
SMILESCCN1CCCC1CN(Cc1ccncc1)C(=O)c1nc2cccnc2s1
InChIInChI=1S/C20H23N5OS/c1-2-24-12-4-5-16(24)14-25(13-15-7-10-21-11-8-15)20(26)19-23-17-6-3-9-22-18(17)27-19/h3,6-11,16H,2,4-5,12-14H2,1H3
InChIKeyASATZXQVRHPRGG-UHFFFAOYSA-N
XLogP3.21
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-ethylpyrrolidin-2-yl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-pyridin-3-ylurea
CID 75368878
N-benzyl-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine
CID 51631520
N-[[1-([1,3]thiazolo[5,4-b]pyridine-2-carbonyl)piperidin-2-yl]methyl]acetamide
CID 154780110
[(2S)-2-(2-methylbutan-2-yl)pyrrolidin-1-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanone
CID 124737688
1-[(1-ethylpyrrolidin-2-yl)methyl]-1-(pyridin-4-ylmethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
CID 17066038
N-[(2-chlorophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 46961800
N-[(2-chlorophenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine
CID 51623399
3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[(4-hydroxyphenyl)methyl]urea
CID 52507884
N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylpyridine-3-carboxamide
CID 51105924
3-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]propanamide
CID 52514044
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoropyridine-3-carboxamide
CID 107358520
3-bromo-N-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]thiophene-2-carboxamide
CID 119034216

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide (CID 126800848) is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide is CCN1CCCC1CN(Cc1ccncc1)C(=O)c1nc2cccnc2s1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide?
The InChIKey is ASATZXQVRHPRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-2-24-12-4-5-16(24)14-25(13-15-7-10-21-11-8-15)20(26)19-23-17-6-3-9-22-18(17)27-19/h3,6-11,16H,2,4-5,12-14H2,1H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide has a molecular weight of 381.51 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide is sourced from PubChem (CID 126800848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).