1-[3-[[(6-propan-2-ylpyridazin-3-yl)amino]methyl]-2-pyridinyl]piperidin-3-ol

C18H25N5O — CID 56738805

IUPAC1-[3-[[(6-propan-2-ylpyridazin-3-yl)amino]methyl]-2-pyridinyl]piperidin-3-ol
SMILESCC(C)c1ccc(NCc2cccnc2N2CCCC(O)C2)nn1
InChIInChI=1S/C18H25N5O/c1-13(2)16-7-8-17(22-21-16)20-11-14-5-3-9-19-18(14)23-10-4-6-15(24)12-23/h3,5,7-9,13,15,24H,4,6,10-12H2,1-2H3,(H,20,22)
InChIKeyBGBVXHFQIIPAPF-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.57
Rot. Bonds5

About 1-[3-[[(6-propan-2-ylpyridazin-3-yl)amino]methyl]-2-pyridinyl]piperidin-3-ol

1-[3-[[(6-propan-2-ylpyridazin-3-yl)amino]methyl]-2-pyridinyl]piperidin-3-ol (PubChem CID 56738805) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[3-[[(6-propan-2-ylpyridazin-3-yl)amino]methyl]-2-pyridinyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[3-[[(6-propan-2-ylpyridazin-3-yl)amino]methyl]-2-pyridinyl]piperidin-3-ol
PubChem CID56738805
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name1-[3-[[(6-propan-2-ylpyridazin-3-yl)amino]methyl]-2-pyridinyl]piperidin-3-ol
SMILESCC(C)c1ccc(NCc2cccnc2N2CCCC(O)C2)nn1
InChIInChI=1S/C18H25N5O/c1-13(2)16-7-8-17(22-21-16)20-11-14-5-3-9-19-18(14)23-10-4-6-15(24)12-23/h3,5,7-9,13,15,24H,4,6,10-12H2,1-2H3,(H,20,22)
InChIKeyBGBVXHFQIIPAPF-UHFFFAOYSA-N
XLogP2.57
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-[[(6-propan-2-ylpyridazin-3-yl)amino]methyl]-2-pyridinyl]piperidin-3-ol with MolForge

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Related Compounds

1-[3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-pyridinyl]piperidin-3-ol
CID 56746340
N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 56750620
N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 95204100
(3R)-1-[2-[[2-(azocan-1-yl)-3-pyridinyl]methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 95210227
N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 45184288
(3R)-1-[3-[[(5-methylfuran-2-yl)methylamino]methyl]-2-pyridinyl]piperidin-3-ol
CID 25282607
1-[3-[(furan-2-ylmethylamino)methyl]-2-pyridinyl]piperidin-3-ol
CID 45229309
N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-2-methylfuran-3-carboxamide
CID 42147241
N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-2-methylfuran-3-carboxamide
CID 45252804
1-[3-[[(5-chlorothiophen-2-yl)methylamino]methyl]-2-pyridinyl]piperidin-3-ol
CID 45196503
1-[3-[[[5-(methoxymethyl)furan-2-yl]methylamino]methyl]-2-pyridinyl]piperidin-3-ol
CID 45204429
N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 95191432

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(6-propan-2-ylpyridazin-3-yl)amino]methyl]-2-pyridinyl]piperidin-3-ol?
The IUPAC name of 1-[3-[[(6-propan-2-ylpyridazin-3-yl)amino]methyl]-2-pyridinyl]piperidin-3-ol (CID 56738805) is 1-[3-[[(6-propan-2-ylpyridazin-3-yl)amino]methyl]-2-pyridinyl]piperidin-3-ol.
What is the SMILES notation for 1-[3-[[(6-propan-2-ylpyridazin-3-yl)amino]methyl]-2-pyridinyl]piperidin-3-ol?
The canonical SMILES for 1-[3-[[(6-propan-2-ylpyridazin-3-yl)amino]methyl]-2-pyridinyl]piperidin-3-ol is CC(C)c1ccc(NCc2cccnc2N2CCCC(O)C2)nn1.
What is the InChIKey of 1-[3-[[(6-propan-2-ylpyridazin-3-yl)amino]methyl]-2-pyridinyl]piperidin-3-ol?
The InChIKey is BGBVXHFQIIPAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-13(2)16-7-8-17(22-21-16)20-11-14-5-3-9-19-18(14)23-10-4-6-15(24)12-23/h3,5,7-9,13,15,24H,4,6,10-12H2,1-2H3,(H,20,22).
What are the key properties of 1-[3-[[(6-propan-2-ylpyridazin-3-yl)amino]methyl]-2-pyridinyl]piperidin-3-ol?
1-[3-[[(6-propan-2-ylpyridazin-3-yl)amino]methyl]-2-pyridinyl]piperidin-3-ol has a molecular weight of 327.43 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(6-propan-2-ylpyridazin-3-yl)amino]methyl]-2-pyridinyl]piperidin-3-ol is sourced from PubChem (CID 56738805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).