3-[4-(cyclohexylamino)piperidin-1-yl]-N,N,6-trimethylpyridazine-4-carboxamide

C19H31N5O — CID 129252288

IUPAC3-[4-(cyclohexylamino)piperidin-1-yl]-N,N,6-trimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)N(C)C)c(N2CCC(NC3CCCCC3)CC2)nn1
InChIInChI=1S/C19H31N5O/c1-14-13-17(19(25)23(2)3)18(22-21-14)24-11-9-16(10-12-24)20-15-7-5-4-6-8-15/h13,15-16,20H,4-12H2,1-3H3
InChIKeyIKNAGNCCXMMEPC-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.38
Rot. Bonds4

About 3-[4-(cyclohexylamino)piperidin-1-yl]-N,N,6-trimethylpyridazine-4-carboxamide

3-[4-(cyclohexylamino)piperidin-1-yl]-N,N,6-trimethylpyridazine-4-carboxamide (PubChem CID 129252288) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-[4-(cyclohexylamino)piperidin-1-yl]-N,N,6-trimethylpyridazine-4-carboxamide.

Molecular Properties

Compound Name3-[4-(cyclohexylamino)piperidin-1-yl]-N,N,6-trimethylpyridazine-4-carboxamide
PubChem CID129252288
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name3-[4-(cyclohexylamino)piperidin-1-yl]-N,N,6-trimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)N(C)C)c(N2CCC(NC3CCCCC3)CC2)nn1
InChIInChI=1S/C19H31N5O/c1-14-13-17(19(25)23(2)3)18(22-21-14)24-11-9-16(10-12-24)20-15-7-5-4-6-8-15/h13,15-16,20H,4-12H2,1-3H3
InChIKeyIKNAGNCCXMMEPC-UHFFFAOYSA-N
XLogP2.38
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclohexylamino)piperidin-1-yl]-N,N,6-trimethylpyridazine-4-carboxamide?
The IUPAC name of 3-[4-(cyclohexylamino)piperidin-1-yl]-N,N,6-trimethylpyridazine-4-carboxamide (CID 129252288) is 3-[4-(cyclohexylamino)piperidin-1-yl]-N,N,6-trimethylpyridazine-4-carboxamide.
What is the SMILES notation for 3-[4-(cyclohexylamino)piperidin-1-yl]-N,N,6-trimethylpyridazine-4-carboxamide?
The canonical SMILES for 3-[4-(cyclohexylamino)piperidin-1-yl]-N,N,6-trimethylpyridazine-4-carboxamide is Cc1cc(C(=O)N(C)C)c(N2CCC(NC3CCCCC3)CC2)nn1.
What is the InChIKey of 3-[4-(cyclohexylamino)piperidin-1-yl]-N,N,6-trimethylpyridazine-4-carboxamide?
The InChIKey is IKNAGNCCXMMEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-14-13-17(19(25)23(2)3)18(22-21-14)24-11-9-16(10-12-24)20-15-7-5-4-6-8-15/h13,15-16,20H,4-12H2,1-3H3.
What are the key properties of 3-[4-(cyclohexylamino)piperidin-1-yl]-N,N,6-trimethylpyridazine-4-carboxamide?
3-[4-(cyclohexylamino)piperidin-1-yl]-N,N,6-trimethylpyridazine-4-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclohexylamino)piperidin-1-yl]-N,N,6-trimethylpyridazine-4-carboxamide is sourced from PubChem (CID 129252288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).