N-phthalazin-1-yl-1-pyridazin-3-ylpiperidine-4-carboxamide

C18H18N6O — CID 11609685

IUPACN-phthalazin-1-yl-1-pyridazin-3-ylpiperidine-4-carboxamide
SMILESO=C(Nc1nncc2ccccc12)C1CCN(c2cccnn2)CC1
InChIInChI=1S/C18H18N6O/c25-18(21-17-15-5-2-1-4-14(15)12-20-23-17)13-7-10-24(11-8-13)16-6-3-9-19-22-16/h1-6,9,12-13H,7-8,10-11H2,(H,21,23,25)
InChIKeyUCVLDYFSSLIBIM-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.27
Rot. Bonds3

About N-phthalazin-1-yl-1-pyridazin-3-ylpiperidine-4-carboxamide

N-phthalazin-1-yl-1-pyridazin-3-ylpiperidine-4-carboxamide (PubChem CID 11609685) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is N-phthalazin-1-yl-1-pyridazin-3-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-phthalazin-1-yl-1-pyridazin-3-ylpiperidine-4-carboxamide
PubChem CID11609685
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC NameN-phthalazin-1-yl-1-pyridazin-3-ylpiperidine-4-carboxamide
SMILESO=C(Nc1nncc2ccccc12)C1CCN(c2cccnn2)CC1
InChIInChI=1S/C18H18N6O/c25-18(21-17-15-5-2-1-4-14(15)12-20-23-17)13-7-10-24(11-8-13)16-6-3-9-19-22-16/h1-6,9,12-13H,7-8,10-11H2,(H,21,23,25)
InChIKeyUCVLDYFSSLIBIM-UHFFFAOYSA-N
XLogP2.27
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-pyridazin-3-yl-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 110269133
1-(6-methylpyridazin-3-yl)-N-naphthalen-1-ylpiperidine-4-carboxamide
CID 121118852
N-naphthalen-1-yl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514093
N-[2-(phthalazin-1-ylamino)ethyl]cyclopropanecarboxamide
CID 115569585
(3S)-N-(5-methyl-1H-pyrazol-3-yl)-1-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 125013785
N-naphthalen-1-yl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 43815622
3-(phthalazin-1-ylamino)cyclopentane-1-carboxylic acid
CID 66030980
N-cyclobutyl-1-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 110269436
N-[(1-methylimidazol-2-yl)methyl]-1-pyridazin-3-ylpiperidine-4-carboxamide
CID 110090149
3-[4-(chloromethyl)piperidin-1-yl]pyridazine
CID 63390374
N-methyl-1-pyridazin-3-ylpiperidine-3-carboxamide
CID 110269425
tert-butyl 4-[4-[[(3S)-1-pyridazin-3-ylpyrrolidine-3-carbonyl]amino]phenoxy]piperidine-1-carboxylate
CID 86702075

Frequently Asked Questions

What is the IUPAC name of N-phthalazin-1-yl-1-pyridazin-3-ylpiperidine-4-carboxamide?
The IUPAC name of N-phthalazin-1-yl-1-pyridazin-3-ylpiperidine-4-carboxamide (CID 11609685) is N-phthalazin-1-yl-1-pyridazin-3-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-phthalazin-1-yl-1-pyridazin-3-ylpiperidine-4-carboxamide?
The canonical SMILES for N-phthalazin-1-yl-1-pyridazin-3-ylpiperidine-4-carboxamide is O=C(Nc1nncc2ccccc12)C1CCN(c2cccnn2)CC1.
What is the InChIKey of N-phthalazin-1-yl-1-pyridazin-3-ylpiperidine-4-carboxamide?
The InChIKey is UCVLDYFSSLIBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c25-18(21-17-15-5-2-1-4-14(15)12-20-23-17)13-7-10-24(11-8-13)16-6-3-9-19-22-16/h1-6,9,12-13H,7-8,10-11H2,(H,21,23,25).
What are the key properties of N-phthalazin-1-yl-1-pyridazin-3-ylpiperidine-4-carboxamide?
N-phthalazin-1-yl-1-pyridazin-3-ylpiperidine-4-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phthalazin-1-yl-1-pyridazin-3-ylpiperidine-4-carboxamide is sourced from PubChem (CID 11609685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).