N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methylbutanamide

C18H28N4O2 — CID 91924068

IUPACN-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC1CCN(c2cnn(CC3CC3)c(=O)c2)CC1
InChIInChI=1S/C18H28N4O2/c1-13(2)9-17(23)20-15-5-7-21(8-6-15)16-10-18(24)22(19-11-16)12-14-3-4-14/h10-11,13-15H,3-9,12H2,1-2H3,(H,20,23)
InChIKeyCEVNBEZNHZTRIC-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.78
Rot. Bonds6

About N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methylbutanamide

N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methylbutanamide (PubChem CID 91924068) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methylbutanamide
PubChem CID91924068
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC1CCN(c2cnn(CC3CC3)c(=O)c2)CC1
InChIInChI=1S/C18H28N4O2/c1-13(2)9-17(23)20-15-5-7-21(8-6-15)16-10-18(24)22(19-11-16)12-14-3-4-14/h10-11,13-15H,3-9,12H2,1-2H3,(H,20,23)
InChIKeyCEVNBEZNHZTRIC-UHFFFAOYSA-N
XLogP1.78
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methylbutanamide?
The IUPAC name of N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methylbutanamide (CID 91924068) is N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methylbutanamide.
What is the SMILES notation for N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methylbutanamide?
The canonical SMILES for N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methylbutanamide is CC(C)CC(=O)NC1CCN(c2cnn(CC3CC3)c(=O)c2)CC1.
What is the InChIKey of N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methylbutanamide?
The InChIKey is CEVNBEZNHZTRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13(2)9-17(23)20-15-5-7-21(8-6-15)16-10-18(24)22(19-11-16)12-14-3-4-14/h10-11,13-15H,3-9,12H2,1-2H3,(H,20,23).
What are the key properties of N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methylbutanamide?
N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methylbutanamide has a molecular weight of 332.45 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methylbutanamide is sourced from PubChem (CID 91924068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).