N-(3-methoxypropyl)-2-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]acetamide

C16H27N5O2 — CID 56802872

IUPACN-(3-methoxypropyl)-2-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]acetamide
SMILESCOCCCNC(=O)CN(C)C1CCCN(c2cccnn2)C1
InChIInChI=1S/C16H27N5O2/c1-20(13-16(22)17-8-5-11-23-2)14-6-4-10-21(12-14)15-7-3-9-18-19-15/h3,7,9,14H,4-6,8,10-13H2,1-2H3,(H,17,22)
InChIKeyMQHLJRRLOZFWMG-UHFFFAOYSA-N
MW321.43 g/mol
LogP0.53
Rot. Bonds8

About N-(3-methoxypropyl)-2-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]acetamide

N-(3-methoxypropyl)-2-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]acetamide (PubChem CID 56802872) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]acetamide
PubChem CID56802872
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC NameN-(3-methoxypropyl)-2-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]acetamide
SMILESCOCCCNC(=O)CN(C)C1CCCN(c2cccnn2)C1
InChIInChI=1S/C16H27N5O2/c1-20(13-16(22)17-8-5-11-23-2)14-6-4-10-21(12-14)15-7-3-9-18-19-15/h3,7,9,14H,4-6,8,10-13H2,1-2H3,(H,17,22)
InChIKeyMQHLJRRLOZFWMG-UHFFFAOYSA-N
XLogP0.53
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine
CID 94476470
N-(1-cyanocyclopentyl)-2-{methyl[1-(pyridazin-3-yl)piperidin-3-yl]amino}acetamide
CID 53617555
2-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-N-(oxan-4-yl)acetamide
CID 53625039
2-Pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 56778529
4-Methoxy-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one
CID 56778538
N-[1-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]cyclohexyl]acetamide
CID 56778541
1-Piperidin-1-yl-2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]ethanone
CID 71872246
N-cyclohexyl-3-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide
CID 71872269
2,2-dimethyl-N-[3-oxo-3-[4-(pyridazin-3-ylamino)piperidin-1-yl]propyl]propanamide
CID 71878645
1-[4-(Pyridazin-3-ylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethylamino)propan-1-one
CID 75533107
N-[2-(dimethylamino)ethyl]-2-(1-pyridazin-3-ylpiperidin-4-yl)acetamide
CID 95817059
N-(oxan-4-yl)-2-(1-pyridazin-3-ylpiperidin-4-yl)acetamide
CID 95826705

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]acetamide (CID 56802872) is N-(3-methoxypropyl)-2-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]acetamide is COCCCNC(=O)CN(C)C1CCCN(c2cccnn2)C1.
What is the InChIKey of N-(3-methoxypropyl)-2-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]acetamide?
The InChIKey is MQHLJRRLOZFWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-20(13-16(22)17-8-5-11-23-2)14-6-4-10-21(12-14)15-7-3-9-18-19-15/h3,7,9,14H,4-6,8,10-13H2,1-2H3,(H,17,22).
What are the key properties of N-(3-methoxypropyl)-2-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]acetamide?
N-(3-methoxypropyl)-2-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]acetamide has a molecular weight of 321.43 g/mol, XLogP of 0.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]acetamide is sourced from PubChem (CID 56802872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).