2-amino-1-[3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone

C16H25N5O — CID 110271601

IUPAC2-amino-1-[3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone
SMILESNCC(=O)N1CCCC(Cc2ccc(N3CCCC3)nn2)C1
InChIInChI=1S/C16H25N5O/c17-11-16(22)21-9-3-4-13(12-21)10-14-5-6-15(19-18-14)20-7-1-2-8-20/h5-6,13H,1-4,7-12,17H2
InChIKeyKRNWZRJCRIMNJU-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.82
Rot. Bonds4

About 2-amino-1-[3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone

2-amino-1-[3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 110271601) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-amino-1-[3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone
PubChem CID110271601
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name2-amino-1-[3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone
SMILESNCC(=O)N1CCCC(Cc2ccc(N3CCCC3)nn2)C1
InChIInChI=1S/C16H25N5O/c17-11-16(22)21-9-3-4-13(12-21)10-14-5-6-15(19-18-14)20-7-1-2-8-20/h5-6,13H,1-4,7-12,17H2
InChIKeyKRNWZRJCRIMNJU-UHFFFAOYSA-N
XLogP0.82
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazin-3-yl]piperazin-1-yl]ethanone
CID 95846960
1H-pyrazol-5-yl-[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methanone
CID 124948806
1-[6-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]piperidine-4-carboxamide
CID 95846984
3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine
CID 110271613
6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazine-3-carboxylic acid
CID 95804599
6-[(1-acetylpiperidin-3-yl)methyl]pyridazine-3-carboxylic acid
CID 110246143
3-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]-6-pyrrolidin-1-ylpyridazine
CID 95847107
3-[(1-methylpiperidin-4-yl)methyl]-6-pyrrolidin-1-ylpyridazine
CID 95846220
1-[3-[(6-imidazol-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone
CID 110255801
2-amino-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]ethanone
CID 166226482
(3-aminopiperidin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride
CID 119381184
4-[6-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]morpholine
CID 95847079

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone (CID 110271601) is 2-amino-1-[3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone is NCC(=O)N1CCCC(Cc2ccc(N3CCCC3)nn2)C1.
What is the InChIKey of 2-amino-1-[3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is KRNWZRJCRIMNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c17-11-16(22)21-9-3-4-13(12-21)10-14-5-6-15(19-18-14)20-7-1-2-8-20/h5-6,13H,1-4,7-12,17H2.
What are the key properties of 2-amino-1-[3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone?
2-amino-1-[3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 303.41 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110271601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).