N-[4-(oxolan-2-ylmethoxy)phenyl]-4-pyridazin-3-ylpiperazine-1-carboxamide

C20H25N5O3 — CID 134813193

IUPACN-[4-(oxolan-2-ylmethoxy)phenyl]-4-pyridazin-3-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc(OCC2CCCO2)cc1)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C20H25N5O3/c26-20(25-12-10-24(11-13-25)19-4-1-9-21-23-19)22-16-5-7-17(8-6-16)28-15-18-3-2-14-27-18/h1,4-9,18H,2-3,10-15H2,(H,22,26)
InChIKeyOJLBVJHXAXPZJN-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.39
Rot. Bonds5

About N-[4-(oxolan-2-ylmethoxy)phenyl]-4-pyridazin-3-ylpiperazine-1-carboxamide

N-[4-(oxolan-2-ylmethoxy)phenyl]-4-pyridazin-3-ylpiperazine-1-carboxamide (PubChem CID 134813193) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[4-(oxolan-2-ylmethoxy)phenyl]-4-pyridazin-3-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(oxolan-2-ylmethoxy)phenyl]-4-pyridazin-3-ylpiperazine-1-carboxamide
PubChem CID134813193
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC NameN-[4-(oxolan-2-ylmethoxy)phenyl]-4-pyridazin-3-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc(OCC2CCCO2)cc1)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C20H25N5O3/c26-20(25-12-10-24(11-13-25)19-4-1-9-21-23-19)22-16-5-7-17(8-6-16)28-15-18-3-2-14-27-18/h1,4-9,18H,2-3,10-15H2,(H,22,26)
InChIKeyOJLBVJHXAXPZJN-UHFFFAOYSA-N
XLogP2.39
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 94148337
N-(4-ethoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide
CID 122336905
1-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122076597
N-(4-methoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide
CID 122336884
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)propan-1-one
CID 100843241
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]pyridine-4-carboxamide
CID 7447165
N-(4-ethoxyphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105474
N-[4-(oxolan-2-ylmethoxy)phenyl]cyclobutanecarboxamide
CID 47251152
N-[4-(oxiran-2-ylmethoxy)phenyl]morpholine-4-carboxamide
CID 71370344
2-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]benzoic acid
CID 4957872
2-(cyclopropylmethylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119712735

Frequently Asked Questions

What is the IUPAC name of N-[4-(oxolan-2-ylmethoxy)phenyl]-4-pyridazin-3-ylpiperazine-1-carboxamide?
The IUPAC name of N-[4-(oxolan-2-ylmethoxy)phenyl]-4-pyridazin-3-ylpiperazine-1-carboxamide (CID 134813193) is N-[4-(oxolan-2-ylmethoxy)phenyl]-4-pyridazin-3-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[4-(oxolan-2-ylmethoxy)phenyl]-4-pyridazin-3-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[4-(oxolan-2-ylmethoxy)phenyl]-4-pyridazin-3-ylpiperazine-1-carboxamide is O=C(Nc1ccc(OCC2CCCO2)cc1)N1CCN(c2cccnn2)CC1.
What is the InChIKey of N-[4-(oxolan-2-ylmethoxy)phenyl]-4-pyridazin-3-ylpiperazine-1-carboxamide?
The InChIKey is OJLBVJHXAXPZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c26-20(25-12-10-24(11-13-25)19-4-1-9-21-23-19)22-16-5-7-17(8-6-16)28-15-18-3-2-14-27-18/h1,4-9,18H,2-3,10-15H2,(H,22,26).
What are the key properties of N-[4-(oxolan-2-ylmethoxy)phenyl]-4-pyridazin-3-ylpiperazine-1-carboxamide?
N-[4-(oxolan-2-ylmethoxy)phenyl]-4-pyridazin-3-ylpiperazine-1-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxolan-2-ylmethoxy)phenyl]-4-pyridazin-3-ylpiperazine-1-carboxamide is sourced from PubChem (CID 134813193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).