N,N-dimethyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]pyridine-3-carboxamide

C17H23N7OS — CID 71234270

IUPACN,N-dimethyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]pyridine-3-carboxamide
SMILESCc1nc(Sc2ncccc2C(=O)N(C)C)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C17H23N7OS/c1-12-19-16(24-10-8-23(4)9-11-24)21-17(20-12)26-14-13(6-5-7-18-14)15(25)22(2)3/h5-7H,8-11H2,1-4H3
InChIKeyJHUHRJSRBSDZBS-UHFFFAOYSA-N
MW373.49 g/mol
LogP1.18
Rot. Bonds4

About N,N-dimethyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]pyridine-3-carboxamide

N,N-dimethyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]pyridine-3-carboxamide (PubChem CID 71234270) has the molecular formula C17H23N7OS and a molecular weight of 373.49 g/mol. Its IUPAC name is N,N-dimethyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]pyridine-3-carboxamide
PubChem CID71234270
Molecular FormulaC17H23N7OS
Molecular Weight373.49 g/mol
Exact Mass373.17
IUPAC NameN,N-dimethyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]pyridine-3-carboxamide
SMILESCc1nc(Sc2ncccc2C(=O)N(C)C)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C17H23N7OS/c1-12-19-16(24-10-8-23(4)9-11-24)21-17(20-12)26-14-13(6-5-7-18-14)15(25)22(2)3/h5-7H,8-11H2,1-4H3
InChIKeyJHUHRJSRBSDZBS-UHFFFAOYSA-N
XLogP1.18
TPSA78.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.49
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N,N-dimethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 3040781
N-methyl-2-(4-methylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide
CID 84576816
2-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid
CID 43395315
1-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 56692641
(4-methylpiperazin-1-yl)-[2-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109367054
[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 122340982
methyl 2-(4-methylpiperazin-1-yl)pyridine-3-carboxylate
CID 18536303
2-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridine-3-carboxylic acid
CID 60732308
1-[2-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperidine-4-carboxamide
CID 84576181
2-(dimethylamino)-N-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 110475168
2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid
CID 82889436
ethane;2-(4-methylpiperazin-1-yl)pyrimidine
CID 143004762

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]pyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]pyridine-3-carboxamide (CID 71234270) is N,N-dimethyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]pyridine-3-carboxamide is Cc1nc(Sc2ncccc2C(=O)N(C)C)nc(N2CCN(C)CC2)n1.
What is the InChIKey of N,N-dimethyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]pyridine-3-carboxamide?
The InChIKey is JHUHRJSRBSDZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7OS/c1-12-19-16(24-10-8-23(4)9-11-24)21-17(20-12)26-14-13(6-5-7-18-14)15(25)22(2)3/h5-7H,8-11H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]pyridine-3-carboxamide?
N,N-dimethyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]pyridine-3-carboxamide has a molecular weight of 373.49 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]pyridine-3-carboxamide is sourced from PubChem (CID 71234270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).