N-[(2R)-6-methylheptan-2-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide

C19H31N3O2 — CID 52902394

IUPACN-[(2R)-6-methylheptan-2-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
SMILESCC(C)CCC[C@@H](C)NC(=O)Cn1nc2c(cc1=O)CCCCC2
InChIInChI=1S/C19H31N3O2/c1-14(2)8-7-9-15(3)20-18(23)13-22-19(24)12-16-10-5-4-6-11-17(16)21-22/h12,14-15H,4-11,13H2,1-3H3,(H,20,23)/t15-/m1/s1
InChIKeyGNIIDDDPSJTGOK-OAHLLOKOSA-N
MW333.48 g/mol
LogP2.84
Rot. Bonds7

About N-[(2R)-6-methylheptan-2-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide

N-[(2R)-6-methylheptan-2-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide (PubChem CID 52902394) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[(2R)-6-methylheptan-2-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-6-methylheptan-2-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
PubChem CID52902394
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-[(2R)-6-methylheptan-2-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
SMILESCC(C)CCC[C@@H](C)NC(=O)Cn1nc2c(cc1=O)CCCCC2
InChIInChI=1S/C19H31N3O2/c1-14(2)8-7-9-15(3)20-18(23)13-22-19(24)12-16-10-5-4-6-11-17(16)21-22/h12,14-15H,4-11,13H2,1-3H3,(H,20,23)/t15-/m1/s1
InChIKeyGNIIDDDPSJTGOK-OAHLLOKOSA-N
XLogP2.84
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-6-methylheptan-2-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide?
The IUPAC name of N-[(2R)-6-methylheptan-2-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide (CID 52902394) is N-[(2R)-6-methylheptan-2-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide.
What is the SMILES notation for N-[(2R)-6-methylheptan-2-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide?
The canonical SMILES for N-[(2R)-6-methylheptan-2-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide is CC(C)CCC[C@@H](C)NC(=O)Cn1nc2c(cc1=O)CCCCC2.
What is the InChIKey of N-[(2R)-6-methylheptan-2-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide?
The InChIKey is GNIIDDDPSJTGOK-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-14(2)8-7-9-15(3)20-18(23)13-22-19(24)12-16-10-5-4-6-11-17(16)21-22/h12,14-15H,4-11,13H2,1-3H3,(H,20,23)/t15-/m1/s1.
What are the key properties of N-[(2R)-6-methylheptan-2-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide?
N-[(2R)-6-methylheptan-2-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide has a molecular weight of 333.48 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-6-methylheptan-2-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide is sourced from PubChem (CID 52902394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).