N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide

C18H25N5O3S — CID 172664746

IUPACN,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide
SMILESCc1ccn(CCN2CCOCC2)c(=O)c1C(=O)N(C)Cc1snnc1C
InChIInChI=1S/C18H25N5O3S/c1-13-4-5-23(7-6-22-8-10-26-11-9-22)18(25)16(13)17(24)21(3)12-15-14(2)19-20-27-15/h4-5H,6-12H2,1-3H3
InChIKeyQQOYLOBGXRMXME-UHFFFAOYSA-N
MW391.50 g/mol
LogP0.92
Rot. Bonds6

About N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide

N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide (PubChem CID 172664746) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide
PubChem CID172664746
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC NameN,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide
SMILESCc1ccn(CCN2CCOCC2)c(=O)c1C(=O)N(C)Cc1snnc1C
InChIInChI=1S/C18H25N5O3S/c1-13-4-5-23(7-6-22-8-10-26-11-9-22)18(25)16(13)17(24)21(3)12-15-14(2)19-20-27-15/h4-5H,6-12H2,1-3H3
InChIKeyQQOYLOBGXRMXME-UHFFFAOYSA-N
XLogP0.92
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N,4-dimethyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 172656685
4-methyl-1-(2-morpholin-4-ylethyl)-3-(thiomorpholine-4-carbonyl)pyridin-2-one
CID 172661079
4-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide
CID 172669382
2,3-dimethyl-6-[4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 172666948
4-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide
CID 172664470
4-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide
CID 172660022
4-methyl-1-(2-morpholin-4-ylethyl)-3-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)pyridin-2-one
CID 172668924
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide
CID 172667695
4-methyl-N-(3-morpholin-4-ylpropyl)thiadiazole-5-carboxamide
CID 7576732
5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thiadiazole-4-carboxamide
CID 71688703
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide
CID 172664819
4-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-(1-oxo-2,3-dihydroisoindol-4-yl)pyridine-3-carboxamide
CID 175640604

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide (CID 172664746) is N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide is Cc1ccn(CCN2CCOCC2)c(=O)c1C(=O)N(C)Cc1snnc1C.
What is the InChIKey of N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide?
The InChIKey is QQOYLOBGXRMXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-13-4-5-23(7-6-22-8-10-26-11-9-22)18(25)16(13)17(24)21(3)12-15-14(2)19-20-27-15/h4-5H,6-12H2,1-3H3.
What are the key properties of N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide?
N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide has a molecular weight of 391.50 g/mol, XLogP of 0.92, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172664746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).