5-[4-[(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]thiophene-2-carboxamide

C16H19N5O2S — CID 56778607

IUPAC5-[4-[(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]thiophene-2-carboxamide
SMILESCc1ccc(NC2CCN(C(=O)c3ccc(C(N)=O)s3)CC2)nn1
InChIInChI=1S/C16H19N5O2S/c1-10-2-5-14(20-19-10)18-11-6-8-21(9-7-11)16(23)13-4-3-12(24-13)15(17)22/h2-5,11H,6-9H2,1H3,(H2,17,22)(H,18,20)
InChIKeyJUMMJVPIXBCTMV-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.66
Rot. Bonds4

About 5-[4-[(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]thiophene-2-carboxamide

5-[4-[(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]thiophene-2-carboxamide (PubChem CID 56778607) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 5-[4-[(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[4-[(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]thiophene-2-carboxamide
PubChem CID56778607
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name5-[4-[(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]thiophene-2-carboxamide
SMILESCc1ccc(NC2CCN(C(=O)c3ccc(C(N)=O)s3)CC2)nn1
InChIInChI=1S/C16H19N5O2S/c1-10-2-5-14(20-19-10)18-11-6-8-21(9-7-11)16(23)13-4-3-12(24-13)15(17)22/h2-5,11H,6-9H2,1H3,(H2,17,22)(H,18,20)
InChIKeyJUMMJVPIXBCTMV-UHFFFAOYSA-N
XLogP1.66
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]thiophene-2-carboxamide?
The IUPAC name of 5-[4-[(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]thiophene-2-carboxamide (CID 56778607) is 5-[4-[(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[4-[(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[4-[(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]thiophene-2-carboxamide is Cc1ccc(NC2CCN(C(=O)c3ccc(C(N)=O)s3)CC2)nn1.
What is the InChIKey of 5-[4-[(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]thiophene-2-carboxamide?
The InChIKey is JUMMJVPIXBCTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-10-2-5-14(20-19-10)18-11-6-8-21(9-7-11)16(23)13-4-3-12(24-13)15(17)22/h2-5,11H,6-9H2,1H3,(H2,17,22)(H,18,20).
What are the key properties of 5-[4-[(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]thiophene-2-carboxamide?
5-[4-[(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]thiophene-2-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]thiophene-2-carboxamide is sourced from PubChem (CID 56778607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).