N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide

C16H21N7O3 — CID 122253515

IUPACN-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCOc1nc(CNC(=O)c2ccc(=O)n(C)n2)nc(N2CCCCC2)n1
InChIInChI=1S/C16H21N7O3/c1-22-13(24)7-6-11(21-22)14(25)17-10-12-18-15(20-16(19-12)26-2)23-8-4-3-5-9-23/h6-7H,3-5,8-10H2,1-2H3,(H,17,25)
InChIKeyHSPSWCUPZQLIMD-UHFFFAOYSA-N
MW359.39 g/mol
LogP-0.11
Rot. Bonds5

About N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 122253515) has the molecular formula C16H21N7O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID122253515
Molecular FormulaC16H21N7O3
Molecular Weight359.39 g/mol
Exact Mass359.17
IUPAC NameN-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCOc1nc(CNC(=O)c2ccc(=O)n(C)n2)nc(N2CCCCC2)n1
InChIInChI=1S/C16H21N7O3/c1-22-13(24)7-6-11(21-22)14(25)17-10-12-18-15(20-16(19-12)26-2)23-8-4-3-5-9-23/h6-7H,3-5,8-10H2,1-2H3,(H,17,25)
InChIKeyHSPSWCUPZQLIMD-UHFFFAOYSA-N
XLogP-0.11
TPSA115.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 122254271
4-fluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 122253401
5-acetyl-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide
CID 122253584
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]furan-3-carboxamide
CID 122253553
N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 121137665
N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]quinoxaline-2-carboxamide
CID 122253252
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]furan-2-carboxamide
CID 122253418
N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
CID 122253100
5-(furan-2-yl)-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 122253223
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122253596
3-chloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 122253118
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-4-methylthiophene-2-carboxamide
CID 121137717

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 122253515) is N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide is COc1nc(CNC(=O)c2ccc(=O)n(C)n2)nc(N2CCCCC2)n1.
What is the InChIKey of N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is HSPSWCUPZQLIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O3/c1-22-13(24)7-6-11(21-22)14(25)17-10-12-18-15(20-16(19-12)26-2)23-8-4-3-5-9-23/h6-7H,3-5,8-10H2,1-2H3,(H,17,25).
What are the key properties of N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 359.39 g/mol, XLogP of -0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 122253515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).