N-methyl-2-methylsulfanyl-N-(quinolin-6-ylmethyl)pyrimidine-5-carboxamide

C17H16N4OS — CID 90652812

IUPACN-methyl-2-methylsulfanyl-N-(quinolin-6-ylmethyl)pyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)N(C)Cc2ccc3ncccc3c2)cn1
InChIInChI=1S/C17H16N4OS/c1-21(16(22)14-9-19-17(23-2)20-10-14)11-12-5-6-15-13(8-12)4-3-7-18-15/h3-10H,11H2,1-2H3
InChIKeySNCDPVXQRHPVSW-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.02
Rot. Bonds4

About N-methyl-2-methylsulfanyl-N-(quinolin-6-ylmethyl)pyrimidine-5-carboxamide

N-methyl-2-methylsulfanyl-N-(quinolin-6-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 90652812) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is N-methyl-2-methylsulfanyl-N-(quinolin-6-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-methylsulfanyl-N-(quinolin-6-ylmethyl)pyrimidine-5-carboxamide
PubChem CID90652812
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC NameN-methyl-2-methylsulfanyl-N-(quinolin-6-ylmethyl)pyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)N(C)Cc2ccc3ncccc3c2)cn1
InChIInChI=1S/C17H16N4OS/c1-21(16(22)14-9-19-17(23-2)20-10-14)11-12-5-6-15-13(8-12)4-3-7-18-15/h3-10H,11H2,1-2H3
InChIKeySNCDPVXQRHPVSW-UHFFFAOYSA-N
XLogP3.02
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-dimethyl-N-(quinolin-6-ylmethyl)benzamide
CID 121451784
N-methyl-2-methylsulfanyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide
CID 70714246
1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-6-oxo-N-(quinolin-6-ylmethyl)pyridine-3-carboxamide
CID 92635626
1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-oxo-N-(quinolin-6-ylmethyl)pyridine-3-carboxamide
CID 92635136
2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-(quinolin-6-ylmethyl)acetamide
CID 86286582
N-(2-bromoethyl)-N-methylquinoline-6-carboxamide
CID 80658342
2-methyl-3-[methyl(quinolin-6-ylmethyl)amino]propanoic acid
CID 55007348
1-[methyl(quinolin-6-ylmethyl)amino]propan-2-ol
CID 62335047
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoline-6-carboxamide
CID 166370943
(4S)-N-methyl-4-pyrrolidin-1-yl-N-(quinolin-6-ylmethyl)pentanamide
CID 126446117
N-(5-chloropentyl)-N-methylquinoline-6-carboxamide
CID 107205485
2-[tert-butyl(quinolin-6-ylmethyl)amino]acetic acid
CID 79268844

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfanyl-N-(quinolin-6-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of N-methyl-2-methylsulfanyl-N-(quinolin-6-ylmethyl)pyrimidine-5-carboxamide (CID 90652812) is N-methyl-2-methylsulfanyl-N-(quinolin-6-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-2-methylsulfanyl-N-(quinolin-6-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-2-methylsulfanyl-N-(quinolin-6-ylmethyl)pyrimidine-5-carboxamide is CSc1ncc(C(=O)N(C)Cc2ccc3ncccc3c2)cn1.
What is the InChIKey of N-methyl-2-methylsulfanyl-N-(quinolin-6-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is SNCDPVXQRHPVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-21(16(22)14-9-19-17(23-2)20-10-14)11-12-5-6-15-13(8-12)4-3-7-18-15/h3-10H,11H2,1-2H3.
What are the key properties of N-methyl-2-methylsulfanyl-N-(quinolin-6-ylmethyl)pyrimidine-5-carboxamide?
N-methyl-2-methylsulfanyl-N-(quinolin-6-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanyl-N-(quinolin-6-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 90652812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).