N-(3-morpholin-4-ylpropyl)-4-(6-piperidin-1-ylpyridazin-3-yl)benzamide

C23H31N5O2 — CID 53098773

IUPACN-(3-morpholin-4-ylpropyl)-4-(6-piperidin-1-ylpyridazin-3-yl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1ccc(-c2ccc(N3CCCCC3)nn2)cc1
InChIInChI=1S/C23H31N5O2/c29-23(24-11-4-12-27-15-17-30-18-16-27)20-7-5-19(6-8-20)21-9-10-22(26-25-21)28-13-2-1-3-14-28/h5-10H,1-4,11-18H2,(H,24,29)
InChIKeyRCKBDHSEKDGIPD-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.59
Rot. Bonds7

About N-(3-morpholin-4-ylpropyl)-4-(6-piperidin-1-ylpyridazin-3-yl)benzamide

N-(3-morpholin-4-ylpropyl)-4-(6-piperidin-1-ylpyridazin-3-yl)benzamide (PubChem CID 53098773) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-4-(6-piperidin-1-ylpyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-4-(6-piperidin-1-ylpyridazin-3-yl)benzamide
PubChem CID53098773
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC NameN-(3-morpholin-4-ylpropyl)-4-(6-piperidin-1-ylpyridazin-3-yl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1ccc(-c2ccc(N3CCCCC3)nn2)cc1
InChIInChI=1S/C23H31N5O2/c29-23(24-11-4-12-27-15-17-30-18-16-27)20-7-5-19(6-8-20)21-9-10-22(26-25-21)28-13-2-1-3-14-28/h5-10H,1-4,11-18H2,(H,24,29)
InChIKeyRCKBDHSEKDGIPD-UHFFFAOYSA-N
XLogP2.59
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.59
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

N-(3-morpholin-4-ylpropyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 84570657
N-propyl-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53035071
(3S)-1-[6-(4-methylphenyl)pyridazin-3-yl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 93055758
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
N-(2-methylpropyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53009790
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959342
N-(3-morpholin-4-ylpropyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 75489084
4-(6-oxo-1H-pyridazin-3-yl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 59406782
4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168028
3-(6-morpholin-4-ylpyridazin-3-yl)-N-pentylbenzamide
CID 50816215
(3S)-1-[6-(3-methylphenyl)pyridazin-3-yl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 93055910

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-4-(6-piperidin-1-ylpyridazin-3-yl)benzamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-4-(6-piperidin-1-ylpyridazin-3-yl)benzamide (CID 53098773) is N-(3-morpholin-4-ylpropyl)-4-(6-piperidin-1-ylpyridazin-3-yl)benzamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-4-(6-piperidin-1-ylpyridazin-3-yl)benzamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-4-(6-piperidin-1-ylpyridazin-3-yl)benzamide is O=C(NCCCN1CCOCC1)c1ccc(-c2ccc(N3CCCCC3)nn2)cc1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-4-(6-piperidin-1-ylpyridazin-3-yl)benzamide?
The InChIKey is RCKBDHSEKDGIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c29-23(24-11-4-12-27-15-17-30-18-16-27)20-7-5-19(6-8-20)21-9-10-22(26-25-21)28-13-2-1-3-14-28/h5-10H,1-4,11-18H2,(H,24,29).
What are the key properties of N-(3-morpholin-4-ylpropyl)-4-(6-piperidin-1-ylpyridazin-3-yl)benzamide?
N-(3-morpholin-4-ylpropyl)-4-(6-piperidin-1-ylpyridazin-3-yl)benzamide has a molecular weight of 409.53 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-4-(6-piperidin-1-ylpyridazin-3-yl)benzamide is sourced from PubChem (CID 53098773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).