N-[(3R)-2-oxoazepan-3-yl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide

C17H26N6O2 — CID 95599997

IUPACN-[(3R)-2-oxoazepan-3-yl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide
SMILESO=C(CN[C@H]1CCCN(c2cccnn2)C1)N[C@@H]1CCCCNC1=O
InChIInChI=1S/C17H26N6O2/c24-16(21-14-6-1-2-8-18-17(14)25)11-19-13-5-4-10-23(12-13)15-7-3-9-20-22-15/h3,7,9,13-14,19H,1-2,4-6,8,10-12H2,(H,18,25)(H,21,24)/t13-,14+/m0/s1
InChIKeyLEVPPMYARCWOGT-UONOGXRCSA-N
MW346.44 g/mol
LogP-0.18
Rot. Bonds5

About N-[(3R)-2-oxoazepan-3-yl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide

N-[(3R)-2-oxoazepan-3-yl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide (PubChem CID 95599997) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is N-[(3R)-2-oxoazepan-3-yl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide.

Molecular Properties

Compound NameN-[(3R)-2-oxoazepan-3-yl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide
PubChem CID95599997
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC NameN-[(3R)-2-oxoazepan-3-yl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide
SMILESO=C(CN[C@H]1CCCN(c2cccnn2)C1)N[C@@H]1CCCCNC1=O
InChIInChI=1S/C17H26N6O2/c24-16(21-14-6-1-2-8-18-17(14)25)11-19-13-5-4-10-23(12-13)15-7-3-9-20-22-15/h3,7,9,13-14,19H,1-2,4-6,8,10-12H2,(H,18,25)(H,21,24)/t13-,14+/m0/s1
InChIKeyLEVPPMYARCWOGT-UONOGXRCSA-N
XLogP-0.18
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(3R)-2-oxoazepan-3-yl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide with MolForge

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Related Compounds

2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 95349268
N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide
CID 95344749
2-(4-fluorophenoxy)-N-(1-pyridazin-3-ylpiperidin-3-yl)acetamide
CID 122137262
3-amino-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide;hydrochloride
CID 120872944
(3S)-N-[(2-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544986
(3R)-N-(2-methylsulfonylethyl)-1-pyridazin-3-ylpiperidin-3-amine
CID 95331275
(3R)-N-[(2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544993
(1R)-1-(4-fluorophenyl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]ethanol
CID 95338968
2-(4-methylphenyl)-1-[(1-pyridazin-3-ylpiperidin-3-yl)amino]propan-2-ol
CID 71933008
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide
CID 95336593
(3R)-N-[(2,6-difluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545142
N-(5-methyl-1,2-oxazol-3-yl)-3-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide
CID 95337777

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2-oxoazepan-3-yl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide?
The IUPAC name of N-[(3R)-2-oxoazepan-3-yl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide (CID 95599997) is N-[(3R)-2-oxoazepan-3-yl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide.
What is the SMILES notation for N-[(3R)-2-oxoazepan-3-yl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide?
The canonical SMILES for N-[(3R)-2-oxoazepan-3-yl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide is O=C(CN[C@H]1CCCN(c2cccnn2)C1)N[C@@H]1CCCCNC1=O.
What is the InChIKey of N-[(3R)-2-oxoazepan-3-yl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide?
The InChIKey is LEVPPMYARCWOGT-UONOGXRCSA-N. The full InChI is InChI=1S/C17H26N6O2/c24-16(21-14-6-1-2-8-18-17(14)25)11-19-13-5-4-10-23(12-13)15-7-3-9-20-22-15/h3,7,9,13-14,19H,1-2,4-6,8,10-12H2,(H,18,25)(H,21,24)/t13-,14+/m0/s1.
What are the key properties of N-[(3R)-2-oxoazepan-3-yl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide?
N-[(3R)-2-oxoazepan-3-yl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide has a molecular weight of 346.44 g/mol, XLogP of -0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2-oxoazepan-3-yl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide is sourced from PubChem (CID 95599997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).