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

C19H30N4O2 — CID 91911837

IUPACN-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NC1CCN(c2cnn(CC3CC3)c(=O)c2)CC1
InChIInChI=1S/C19H30N4O2/c1-14(2)3-6-18(24)21-16-7-9-22(10-8-16)17-11-19(25)23(20-12-17)13-15-4-5-15/h11-12,14-16H,3-10,13H2,1-2H3,(H,21,24)
InChIKeyUVBZRLVGDYBEQQ-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.17
Rot. Bonds7

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

N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-methylpentanamide (PubChem CID 91911837) 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]-4-methylpentanamide.

Molecular Properties

Compound NameN-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-methylpentanamide
PubChem CID91911837
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NC1CCN(c2cnn(CC3CC3)c(=O)c2)CC1
InChIInChI=1S/C19H30N4O2/c1-14(2)3-6-18(24)21-16-7-9-22(10-8-16)17-11-19(25)23(20-12-17)13-15-4-5-15/h11-12,14-16H,3-10,13H2,1-2H3,(H,21,24)
InChIKeyUVBZRLVGDYBEQQ-UHFFFAOYSA-N
XLogP2.17
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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]-4-methylpentanamide?
The IUPAC name of N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-methylpentanamide (CID 91911837) is N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-methylpentanamide.
What is the SMILES notation for N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-methylpentanamide?
The canonical SMILES for N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-methylpentanamide is CC(C)CCC(=O)NC1CCN(c2cnn(CC3CC3)c(=O)c2)CC1.
What is the InChIKey of N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-methylpentanamide?
The InChIKey is UVBZRLVGDYBEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-14(2)3-6-18(24)21-16-7-9-22(10-8-16)17-11-19(25)23(20-12-17)13-15-4-5-15/h11-12,14-16H,3-10,13H2,1-2H3,(H,21,24).
What are the key properties of N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-methylpentanamide?
N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-methylpentanamide has a molecular weight of 346.48 g/mol, XLogP of 2.17, 7 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]-4-methylpentanamide is sourced from PubChem (CID 91911837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).