N-ethyl-N-methyl-2-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]carbamoylamino]propanamide

C17H28N6O2 — CID 122139210

IUPACN-ethyl-N-methyl-2-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]carbamoylamino]propanamide
SMILESCCN(C)C(=O)C(C)NC(=O)NC1CCCN(c2ccc(C)nn2)C1
InChIInChI=1S/C17H28N6O2/c1-5-22(4)16(24)13(3)18-17(25)19-14-7-6-10-23(11-14)15-9-8-12(2)20-21-15/h8-9,13-14H,5-7,10-11H2,1-4H3,(H2,18,19,25)
InChIKeyCVSQSVPDRYSGOK-UHFFFAOYSA-N
MW348.45 g/mol
LogP0.92
Rot. Bonds5

About N-ethyl-N-methyl-2-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]carbamoylamino]propanamide

N-ethyl-N-methyl-2-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]carbamoylamino]propanamide (PubChem CID 122139210) has the molecular formula C17H28N6O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]carbamoylamino]propanamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]carbamoylamino]propanamide
PubChem CID122139210
Molecular FormulaC17H28N6O2
Molecular Weight348.45 g/mol
Exact Mass348.23
IUPAC NameN-ethyl-N-methyl-2-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]carbamoylamino]propanamide
SMILESCCN(C)C(=O)C(C)NC(=O)NC1CCCN(c2ccc(C)nn2)C1
InChIInChI=1S/C17H28N6O2/c1-5-22(4)16(24)13(3)18-17(25)19-14-7-6-10-23(11-14)15-9-8-12(2)20-21-15/h8-9,13-14H,5-7,10-11H2,1-4H3,(H2,18,19,25)
InChIKeyCVSQSVPDRYSGOK-UHFFFAOYSA-N
XLogP0.92
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3-(1-pyridin-2-ylethyl)urea
CID 127337250
(2S)-N-ethyl-N-methyl-2-[(1-phenylpiperidin-4-yl)carbamoylamino]propanamide
CID 99830387
[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamic acid
CID 129161486
(2S)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 95342984
3,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridine-2-carboxamide
CID 136521831
(2R)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide
CID 98761227
[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanol
CID 61313722
(2R)-2-methoxy-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]propane-1-sulfonamide
CID 124887107
2-[methyl-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-(oxan-4-yl)acetamide
CID 56802061
1-propan-2-yl-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]urea
CID 95714073
methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate
CID 116972483
1-(6-methylpyridazin-3-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 121118746

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]carbamoylamino]propanamide?
The IUPAC name of N-ethyl-N-methyl-2-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]carbamoylamino]propanamide (CID 122139210) is N-ethyl-N-methyl-2-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]carbamoylamino]propanamide.
What is the SMILES notation for N-ethyl-N-methyl-2-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]carbamoylamino]propanamide?
The canonical SMILES for N-ethyl-N-methyl-2-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]carbamoylamino]propanamide is CCN(C)C(=O)C(C)NC(=O)NC1CCCN(c2ccc(C)nn2)C1.
What is the InChIKey of N-ethyl-N-methyl-2-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]carbamoylamino]propanamide?
The InChIKey is CVSQSVPDRYSGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O2/c1-5-22(4)16(24)13(3)18-17(25)19-14-7-6-10-23(11-14)15-9-8-12(2)20-21-15/h8-9,13-14H,5-7,10-11H2,1-4H3,(H2,18,19,25).
What are the key properties of N-ethyl-N-methyl-2-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]carbamoylamino]propanamide?
N-ethyl-N-methyl-2-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]carbamoylamino]propanamide has a molecular weight of 348.45 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]carbamoylamino]propanamide is sourced from PubChem (CID 122139210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).