4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-6-piperidin-1-ylpyridazine-3-carboxamide

C18H24N6O2 — CID 126627684

IUPAC4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-6-piperidin-1-ylpyridazine-3-carboxamide
SMILESCC(C)(O)c1cccc(Nc2cc(N3CCCCC3)nnc2C(N)=O)n1
InChIInChI=1S/C18H24N6O2/c1-18(2,26)13-7-6-8-14(21-13)20-12-11-15(22-23-16(12)17(19)25)24-9-4-3-5-10-24/h6-8,11,26H,3-5,9-10H2,1-2H3,(H2,19,25)(H,20,21,22)
InChIKeyOHQXMRRZQUFQRU-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.93
Rot. Bonds5

About 4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-6-piperidin-1-ylpyridazine-3-carboxamide

4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-6-piperidin-1-ylpyridazine-3-carboxamide (PubChem CID 126627684) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-6-piperidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-6-piperidin-1-ylpyridazine-3-carboxamide
PubChem CID126627684
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-6-piperidin-1-ylpyridazine-3-carboxamide
SMILESCC(C)(O)c1cccc(Nc2cc(N3CCCCC3)nnc2C(N)=O)n1
InChIInChI=1S/C18H24N6O2/c1-18(2,26)13-7-6-8-14(21-13)20-12-11-15(22-23-16(12)17(19)25)24-9-4-3-5-10-24/h6-8,11,26H,3-5,9-10H2,1-2H3,(H2,19,25)(H,20,21,22)
InChIKeyOHQXMRRZQUFQRU-UHFFFAOYSA-N
XLogP1.93
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-6-piperidin-1-ylpyridazine-3-carboxamide with MolForge

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Related Compounds

6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide
CID 71626099
6-chloro-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide
CID 86689794
6-(2-aminoethylamino)-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide;6-chloro-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide;ethane-1,2-diamine
CID 157137816
6-(azepan-1-yl)pyridine-2-carboxamide
CID 173077887
4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 159808982
6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide
CID 71626818
6-pyrrolidin-1-ylpyridazine-4-carboxylic acid
CID 84664601
2-(2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)propan-2-ol
CID 87522921
6-(azepan-1-yl)-N-ethylpyridin-2-amine
CID 80764538
2-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]propan-2-ol
CID 170257240
ethyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate
CID 112868961
methyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate
CID 112868921

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-6-piperidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of 4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-6-piperidin-1-ylpyridazine-3-carboxamide (CID 126627684) is 4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-6-piperidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for 4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-6-piperidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for 4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-6-piperidin-1-ylpyridazine-3-carboxamide is CC(C)(O)c1cccc(Nc2cc(N3CCCCC3)nnc2C(N)=O)n1.
What is the InChIKey of 4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-6-piperidin-1-ylpyridazine-3-carboxamide?
The InChIKey is OHQXMRRZQUFQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-18(2,26)13-7-6-8-14(21-13)20-12-11-15(22-23-16(12)17(19)25)24-9-4-3-5-10-24/h6-8,11,26H,3-5,9-10H2,1-2H3,(H2,19,25)(H,20,21,22).
What are the key properties of 4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-6-piperidin-1-ylpyridazine-3-carboxamide?
4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-6-piperidin-1-ylpyridazine-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-6-piperidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 126627684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).