1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide

C12H19ClN6O — CID 62864781

IUPAC1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2nc(Cl)nc(N(C)C)n2)CC1
InChIInChI=1S/C12H19ClN6O/c1-14-9(20)8-4-6-19(7-5-8)12-16-10(13)15-11(17-12)18(2)3/h8H,4-7H2,1-3H3,(H,14,20)
InChIKeyQGPKFOCVCIJLIC-UHFFFAOYSA-N
MW298.78 g/mol
LogP0.55
Rot. Bonds3

About 1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide

1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide (PubChem CID 62864781) has the molecular formula C12H19ClN6O and a molecular weight of 298.78 g/mol. Its IUPAC name is 1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide
PubChem CID62864781
Molecular FormulaC12H19ClN6O
Molecular Weight298.78 g/mol
Exact Mass298.13
IUPAC Name1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2nc(Cl)nc(N(C)C)n2)CC1
InChIInChI=1S/C12H19ClN6O/c1-14-9(20)8-4-6-19(7-5-8)12-16-10(13)15-11(17-12)18(2)3/h8H,4-7H2,1-3H3,(H,14,20)
InChIKeyQGPKFOCVCIJLIC-UHFFFAOYSA-N
XLogP0.55
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide
CID 80779384
4-chloro-N,N-dimethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 10681597
1-[4-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
CID 62868838
4-chloro-N,N-dimethyl-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine
CID 62868516
4-chloro-N,N-dimethyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3,5-triazin-2-amine
CID 63171122
4-chloro-6-(4,4-dimethylazepan-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 65282191
4-chloro-6-(4,4-diethylpiperidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 63161811
1-(5-iodopyrimidin-2-yl)-N-methylpiperidine-4-carboxamide
CID 104839991
4-chloro-N,N-dimethyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3,5-triazin-2-amine
CID 63171342
1-(5-bromo-2-chloropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
CID 79076088
1-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N-methylpiperidine-4-carboxamide
CID 80900405
4-chloro-N,N-dimethyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3,5-triazin-2-amine
CID 81200217

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide (CID 62864781) is 1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(c2nc(Cl)nc(N(C)C)n2)CC1.
What is the InChIKey of 1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide?
The InChIKey is QGPKFOCVCIJLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN6O/c1-14-9(20)8-4-6-19(7-5-8)12-16-10(13)15-11(17-12)18(2)3/h8H,4-7H2,1-3H3,(H,14,20).
What are the key properties of 1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide?
1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide has a molecular weight of 298.78 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 62864781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).