N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2,2-dimethylbutanamide

C19H30N4O2 — CID 91911844

IUPACN-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NC1CCN(c2cnn(CC3CC3)c(=O)c2)CC1
InChIInChI=1S/C19H30N4O2/c1-4-19(2,3)18(25)21-15-7-9-22(10-8-15)16-11-17(24)23(20-12-16)13-14-5-6-14/h11-12,14-15H,4-10,13H2,1-3H3,(H,21,25)
InChIKeyATRGFCZKMAPGPB-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.17
Rot. Bonds6

About N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2,2-dimethylbutanamide

N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2,2-dimethylbutanamide (PubChem CID 91911844) 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]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2,2-dimethylbutanamide
PubChem CID91911844
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NC1CCN(c2cnn(CC3CC3)c(=O)c2)CC1
InChIInChI=1S/C19H30N4O2/c1-4-19(2,3)18(25)21-15-7-9-22(10-8-15)16-11-17(24)23(20-12-16)13-14-5-6-14/h11-12,14-15H,4-10,13H2,1-3H3,(H,21,25)
InChIKeyATRGFCZKMAPGPB-UHFFFAOYSA-N
XLogP2.17
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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]-2,2-dimethylbutanamide?
The IUPAC name of N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2,2-dimethylbutanamide (CID 91911844) is N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NC1CCN(c2cnn(CC3CC3)c(=O)c2)CC1.
What is the InChIKey of N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2,2-dimethylbutanamide?
The InChIKey is ATRGFCZKMAPGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-4-19(2,3)18(25)21-15-7-9-22(10-8-15)16-11-17(24)23(20-12-16)13-14-5-6-14/h11-12,14-15H,4-10,13H2,1-3H3,(H,21,25).
What are the key properties of N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2,2-dimethylbutanamide?
N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2,2-dimethylbutanamide has a molecular weight of 346.48 g/mol, XLogP of 2.17, 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]-2,2-dimethylbutanamide is sourced from PubChem (CID 91911844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).