N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide

C19H20N4O2S — CID 30019585

IUPACN-(1,3-benzothiazol-2-ylmethyl)-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C19H20N4O2S/c1-22(13-18-21-15-4-2-3-5-16(15)26-18)19(24)14-6-7-17(20-12-14)23-8-10-25-11-9-23/h2-7,12H,8-11,13H2,1H3
InChIKeyPAIDYFUJVPDDTP-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.80
Rot. Bonds4

About N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide

N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 30019585) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID30019585
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C19H20N4O2S/c1-22(13-18-21-15-4-2-3-5-16(15)26-18)19(24)14-6-7-17(20-12-14)23-8-10-25-11-9-23/h2-7,12H,8-11,13H2,1H3
InChIKeyPAIDYFUJVPDDTP-UHFFFAOYSA-N
XLogP2.80
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 39550059
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 39550058
N-methyl-6-morpholin-4-yl-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide
CID 18133785
1-(1,3-benzothiazol-2-ylmethyl)-1-methyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 134006380
N-methyl-6-morpholin-4-yl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 18163518
N-(1,3-benzothiazol-2-ylmethyl)-4-benzoyl-N-methylbenzamide
CID 18117572
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56706921
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-morpholin-4-yl-5-nitrobenzamide
CID 9277496
N-(1,3-benzothiazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzamide
CID 9372481
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 60787815
N-(1,3-benzothiazol-2-ylmethyl)-4-(diethylamino)-N-methylbenzamide
CID 55389866
N-methyl-N-[2-(2-methylphenoxy)ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 18142801

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide (CID 30019585) is N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide is CN(Cc1nc2ccccc2s1)C(=O)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is PAIDYFUJVPDDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-22(13-18-21-15-4-2-3-5-16(15)26-18)19(24)14-6-7-17(20-12-14)23-8-10-25-11-9-23/h2-7,12H,8-11,13H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 30019585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).