N-(2-morpholin-4-ylethyl)-1-[6-(pyrimidin-4-ylamino)pyridazin-3-yl]piperidine-4-carboxamide

C20H28N8O2 — CID 117081263

IUPACN-(2-morpholin-4-ylethyl)-1-[6-(pyrimidin-4-ylamino)pyridazin-3-yl]piperidine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CCN(c2ccc(Nc3ccncn3)nn2)CC1
InChIInChI=1S/C20H28N8O2/c29-20(22-7-10-27-11-13-30-14-12-27)16-4-8-28(9-5-16)19-2-1-18(25-26-19)24-17-3-6-21-15-23-17/h1-3,6,15-16H,4-5,7-14H2,(H,22,29)(H,21,23,24,25)
InChIKeyVPNFOTVBXGHPCY-UHFFFAOYSA-N
MW412.50 g/mol
LogP0.68
Rot. Bonds7

About N-(2-morpholin-4-ylethyl)-1-[6-(pyrimidin-4-ylamino)pyridazin-3-yl]piperidine-4-carboxamide

N-(2-morpholin-4-ylethyl)-1-[6-(pyrimidin-4-ylamino)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 117081263) has the molecular formula C20H28N8O2 and a molecular weight of 412.50 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-1-[6-(pyrimidin-4-ylamino)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-1-[6-(pyrimidin-4-ylamino)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID117081263
Molecular FormulaC20H28N8O2
Molecular Weight412.50 g/mol
Exact Mass412.23
IUPAC NameN-(2-morpholin-4-ylethyl)-1-[6-(pyrimidin-4-ylamino)pyridazin-3-yl]piperidine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CCN(c2ccc(Nc3ccncn3)nn2)CC1
InChIInChI=1S/C20H28N8O2/c29-20(22-7-10-27-11-13-30-14-12-27)16-4-8-28(9-5-16)19-2-1-18(25-26-19)24-17-3-6-21-15-23-17/h1-3,6,15-16H,4-5,7-14H2,(H,22,29)(H,21,23,24,25)
InChIKeyVPNFOTVBXGHPCY-UHFFFAOYSA-N
XLogP0.68
TPSA108.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-(4-hydroxyphenyl)ethyl]-1-[6-(pyrimidin-4-ylamino)pyridazin-3-yl]piperidine-4-carboxamide
CID 117091509
N-(1,3-benzodioxol-5-yl)-1-[6-(pyrimidin-4-ylamino)pyridazin-3-yl]piperidine-4-carboxamide
CID 117092300
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 46297885
N-(2-morpholin-4-ylethyl)-6-(pyrimidin-4-ylamino)pyridine-2-carboxamide
CID 117080495
N-(3-piperidin-1-ylpropyl)-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771839
N-(2-morpholin-4-ylethyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 20952050
1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192684
1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 46396137
N-(2-hydroxyethyl)-1-[6-[4-(trifluoromethyl)anilino]pyridazin-3-yl]piperidine-4-carboxamide
CID 117090257
1-[6-(4-imidazol-1-ylanilino)pyridazin-3-yl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 117087130
1-[6-(4-bromophenyl)sulfanylpyridazin-3-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 50768721
N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)pyridine-4-carboxamide
CID 117089399

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-1-[6-(pyrimidin-4-ylamino)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-1-[6-(pyrimidin-4-ylamino)pyridazin-3-yl]piperidine-4-carboxamide (CID 117081263) is N-(2-morpholin-4-ylethyl)-1-[6-(pyrimidin-4-ylamino)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-1-[6-(pyrimidin-4-ylamino)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-1-[6-(pyrimidin-4-ylamino)pyridazin-3-yl]piperidine-4-carboxamide is O=C(NCCN1CCOCC1)C1CCN(c2ccc(Nc3ccncn3)nn2)CC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-1-[6-(pyrimidin-4-ylamino)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is VPNFOTVBXGHPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N8O2/c29-20(22-7-10-27-11-13-30-14-12-27)16-4-8-28(9-5-16)19-2-1-18(25-26-19)24-17-3-6-21-15-23-17/h1-3,6,15-16H,4-5,7-14H2,(H,22,29)(H,21,23,24,25).
What are the key properties of N-(2-morpholin-4-ylethyl)-1-[6-(pyrimidin-4-ylamino)pyridazin-3-yl]piperidine-4-carboxamide?
N-(2-morpholin-4-ylethyl)-1-[6-(pyrimidin-4-ylamino)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 412.50 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-1-[6-(pyrimidin-4-ylamino)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 117081263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).