3-[6-(cyclopentylamino)pyridazin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C21H26N4O2 — CID 125436416

IUPAC3-[6-(cyclopentylamino)pyridazin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1cccc(-c2ccc(NC3CCCC3)nn2)c1
InChIInChI=1S/C21H26N4O2/c26-21(22-14-18-9-4-12-27-18)16-6-3-5-15(13-16)19-10-11-20(25-24-19)23-17-7-1-2-8-17/h3,5-6,10-11,13,17-18H,1-2,4,7-9,12,14H2,(H,22,26)(H,23,25)/t18-/m0/s1
InChIKeyRFJQTSSDJQWFTN-SFHVURJKSA-N
MW366.47 g/mol
LogP3.41
Rot. Bonds6

About 3-[6-(cyclopentylamino)pyridazin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

3-[6-(cyclopentylamino)pyridazin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 125436416) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 3-[6-(cyclopentylamino)pyridazin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[6-(cyclopentylamino)pyridazin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID125436416
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name3-[6-(cyclopentylamino)pyridazin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1cccc(-c2ccc(NC3CCCC3)nn2)c1
InChIInChI=1S/C21H26N4O2/c26-21(22-14-18-9-4-12-27-18)16-6-3-5-15(13-16)19-10-11-20(25-24-19)23-17-7-1-2-8-17/h3,5-6,10-11,13,17-18H,1-2,4,7-9,12,14H2,(H,22,26)(H,23,25)/t18-/m0/s1
InChIKeyRFJQTSSDJQWFTN-SFHVURJKSA-N
XLogP3.41
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-(methylamino)pyridazin-3-yl]-N-[4-(oxolan-2-yl)butyl]benzamide
CID 122556166
3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92882471
N-(oxolan-2-ylmethyl)-3-(1H-pyrazol-4-yl)benzamide
CID 110486700
N-(oxolan-2-ylmethyl)-6-phenylpyridazine-3-carboxamide
CID 113200525
6-(cycloheptylamino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853574
3-N-cyclopropyl-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109050678
3-(1-methyltetrazol-5-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 75767622
N-[[(2R)-oxolan-2-yl]methyl]-3-thiophen-2-ylbenzamide
CID 7316196
3-(6-methoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 126446000
N-[[(2S)-oxolan-2-yl]methyl]-3-(6-phenoxypyrimidin-4-yl)benzamide
CID 95053292
3-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 122559676
3-amino-N-(oxan-2-ylmethyl)benzamide
CID 55013985

Frequently Asked Questions

What is the IUPAC name of 3-[6-(cyclopentylamino)pyridazin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 3-[6-(cyclopentylamino)pyridazin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 125436416) is 3-[6-(cyclopentylamino)pyridazin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 3-[6-(cyclopentylamino)pyridazin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 3-[6-(cyclopentylamino)pyridazin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is O=C(NC[C@@H]1CCCO1)c1cccc(-c2ccc(NC3CCCC3)nn2)c1.
What is the InChIKey of 3-[6-(cyclopentylamino)pyridazin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is RFJQTSSDJQWFTN-SFHVURJKSA-N. The full InChI is InChI=1S/C21H26N4O2/c26-21(22-14-18-9-4-12-27-18)16-6-3-5-15(13-16)19-10-11-20(25-24-19)23-17-7-1-2-8-17/h3,5-6,10-11,13,17-18H,1-2,4,7-9,12,14H2,(H,22,26)(H,23,25)/t18-/m0/s1.
What are the key properties of 3-[6-(cyclopentylamino)pyridazin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
3-[6-(cyclopentylamino)pyridazin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 366.47 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(cyclopentylamino)pyridazin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 125436416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).