7-amino-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]heptanamide

C16H27N5O — CID 119890433

IUPAC7-amino-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]heptanamide
SMILESNCCCCCCC(=O)NCC1CCCN1c1cccnn1
InChIInChI=1S/C16H27N5O/c17-10-4-2-1-3-9-16(22)18-13-14-7-6-12-21(14)15-8-5-11-19-20-15/h5,8,11,14H,1-4,6-7,9-10,12-13,17H2,(H,18,22)
InChIKeyAYHDQHBUZJPKFR-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.47
Rot. Bonds9

About 7-amino-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]heptanamide

7-amino-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]heptanamide (PubChem CID 119890433) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 7-amino-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]heptanamide
PubChem CID119890433
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name7-amino-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]heptanamide
SMILESNCCCCCCC(=O)NCC1CCCN1c1cccnn1
InChIInChI=1S/C16H27N5O/c17-10-4-2-1-3-9-16(22)18-13-14-7-6-12-21(14)15-8-5-11-19-20-15/h5,8,11,14H,1-4,6-7,9-10,12-13,17H2,(H,18,22)
InChIKeyAYHDQHBUZJPKFR-UHFFFAOYSA-N
XLogP1.47
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]acetamide
CID 119890443
3-indol-1-yl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide
CID 96504030
3-amino-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]cyclohexane-1-carboxamide
CID 119890453
3-piperidin-4-yl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]butanamide
CID 119890481
(1-pyridazin-3-ylpyrrolidin-2-yl)methanol
CID 62482647
(2S,4S)-2-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120637035
N-[(2-methylphenyl)methyl]-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
CID 95600155
N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-1-benzothiophene-3-carboxamide
CID 124885406
N-(5-chloro-2-pyridinyl)-2-[(1-pyridazin-3-ylpyrrolidin-2-yl)methylamino]acetamide
CID 56778190
N-[(1S)-1-phenylethyl]-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
CID 95600131
3-[2-(bromomethyl)pyrrolidin-1-yl]pyridazine
CID 80668055
(2R)-2-(3-methylphenoxy)-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide
CID 96504011

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]heptanamide?
The IUPAC name of 7-amino-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]heptanamide (CID 119890433) is 7-amino-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]heptanamide.
What is the SMILES notation for 7-amino-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]heptanamide?
The canonical SMILES for 7-amino-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]heptanamide is NCCCCCCC(=O)NCC1CCCN1c1cccnn1.
What is the InChIKey of 7-amino-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]heptanamide?
The InChIKey is AYHDQHBUZJPKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c17-10-4-2-1-3-9-16(22)18-13-14-7-6-12-21(14)15-8-5-11-19-20-15/h5,8,11,14H,1-4,6-7,9-10,12-13,17H2,(H,18,22).
What are the key properties of 7-amino-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]heptanamide?
7-amino-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]heptanamide has a molecular weight of 305.43 g/mol, XLogP of 1.47, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]heptanamide is sourced from PubChem (CID 119890433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).