N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide

C18H29N5O2 — CID 95114393

IUPACN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
SMILESCCN1CCC[C@H]1CNC(=O)C1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C18H29N5O2/c1-3-22-8-4-5-15(22)12-19-18(25)14-6-9-23(10-7-14)16-11-17(24)21(2)20-13-16/h11,13-15H,3-10,12H2,1-2H3,(H,19,25)/t15-/m0/s1
InChIKeyABTGWAIINXTIHW-HNNXBMFYSA-N
MW347.46 g/mol
LogP0.60
Rot. Bonds5

About N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide (PubChem CID 95114393) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
PubChem CID95114393
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
SMILESCCN1CCC[C@H]1CNC(=O)C1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C18H29N5O2/c1-3-22-8-4-5-15(22)12-19-18(25)14-6-9-23(10-7-14)16-11-17(24)21(2)20-13-16/h11,13-15H,3-10,12H2,1-2H3,(H,19,25)/t15-/m0/s1
InChIKeyABTGWAIINXTIHW-HNNXBMFYSA-N
XLogP0.60
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 40900290
(3S)-1-(1-methyl-6-oxopyridazin-4-yl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 95115690
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidine-4-carboxamide
CID 20943077
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 46340074
N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 53203909
1-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]piperidine-4-carboxamide
CID 92691632
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 46959605
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 76859310
(3S)-1-(cyclopropanecarbonyl)-N-[[(2S)-1-ethylpiperidin-2-yl]methyl]piperidine-3-carboxamide
CID 124831833
(3S)-1-cyclopentyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 100909546
4-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-1,4-dicarboxamide
CID 52527484
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 114995304

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide (CID 95114393) is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide is CCN1CCC[C@H]1CNC(=O)C1CCN(c2cnn(C)c(=O)c2)CC1.
What is the InChIKey of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide?
The InChIKey is ABTGWAIINXTIHW-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-3-22-8-4-5-15(22)12-19-18(25)14-6-9-23(10-7-14)16-11-17(24)21(2)20-13-16/h11,13-15H,3-10,12H2,1-2H3,(H,19,25)/t15-/m0/s1.
What are the key properties of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide?
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 95114393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).