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

C19H30N4O2 — CID 91924074

IUPACN-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC1CCN(c2cnn(CC3CC3)c(=O)c2)CC1
InChIInChI=1S/C19H30N4O2/c1-19(2,3)11-17(24)21-15-6-8-22(9-7-15)16-10-18(25)23(20-12-16)13-14-4-5-14/h10,12,14-15H,4-9,11,13H2,1-3H3,(H,21,24)
InChIKeyXQPFIGILNIPXKB-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.17
Rot. Bonds5

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

N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3,3-dimethylbutanamide (PubChem CID 91924074) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3,3-dimethylbutanamide
PubChem CID91924074
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC1CCN(c2cnn(CC3CC3)c(=O)c2)CC1
InChIInChI=1S/C19H30N4O2/c1-19(2,3)11-17(24)21-15-6-8-22(9-7-15)16-10-18(25)23(20-12-16)13-14-4-5-14/h10,12,14-15H,4-9,11,13H2,1-3H3,(H,21,24)
InChIKeyXQPFIGILNIPXKB-UHFFFAOYSA-N
XLogP2.17
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.17
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]-3,3-dimethylbutanamide?
The IUPAC name of N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3,3-dimethylbutanamide (CID 91924074) is N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3,3-dimethylbutanamide is CC(C)(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]-3,3-dimethylbutanamide?
The InChIKey is XQPFIGILNIPXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-19(2,3)11-17(24)21-15-6-8-22(9-7-15)16-10-18(25)23(20-12-16)13-14-4-5-14/h10,12,14-15H,4-9,11,13H2,1-3H3,(H,21,24).
What are the key properties of N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3,3-dimethylbutanamide?
N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3,3-dimethylbutanamide has a molecular weight of 346.48 g/mol, XLogP of 2.17, 5 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]-3,3-dimethylbutanamide is sourced from PubChem (CID 91924074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).