N-[(3R)-1-ethynylpyrrolidin-3-yl]-5-phenylpyridazine-3-carboxamide

C17H16N4O — CID 146676341

IUPACN-[(3R)-1-ethynylpyrrolidin-3-yl]-5-phenylpyridazine-3-carboxamide
SMILESC#CN1CC[C@@H](NC(=O)c2cc(-c3ccccc3)cnn2)C1
InChIInChI=1S/C17H16N4O/c1-2-21-9-8-15(12-21)19-17(22)16-10-14(11-18-20-16)13-6-4-3-5-7-13/h1,3-7,10-11,15H,8-9,12H2,(H,19,22)/t15-/m1/s1
InChIKeyGWLUWRQNZMUBAS-OAHLLOKOSA-N
MW292.34 g/mol
LogP1.54
Rot. Bonds3

About N-[(3R)-1-ethynylpyrrolidin-3-yl]-5-phenylpyridazine-3-carboxamide

N-[(3R)-1-ethynylpyrrolidin-3-yl]-5-phenylpyridazine-3-carboxamide (PubChem CID 146676341) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[(3R)-1-ethynylpyrrolidin-3-yl]-5-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-ethynylpyrrolidin-3-yl]-5-phenylpyridazine-3-carboxamide
PubChem CID146676341
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-[(3R)-1-ethynylpyrrolidin-3-yl]-5-phenylpyridazine-3-carboxamide
SMILESC#CN1CC[C@@H](NC(=O)c2cc(-c3ccccc3)cnn2)C1
InChIInChI=1S/C17H16N4O/c1-2-21-9-8-15(12-21)19-17(22)16-10-14(11-18-20-16)13-6-4-3-5-7-13/h1,3-7,10-11,15H,8-9,12H2,(H,19,22)/t15-/m1/s1
InChIKeyGWLUWRQNZMUBAS-OAHLLOKOSA-N
XLogP1.54
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-ethynylpyrrolidin-3-yl]-5-phenylpyridazine-3-carboxamide?
The IUPAC name of N-[(3R)-1-ethynylpyrrolidin-3-yl]-5-phenylpyridazine-3-carboxamide (CID 146676341) is N-[(3R)-1-ethynylpyrrolidin-3-yl]-5-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-[(3R)-1-ethynylpyrrolidin-3-yl]-5-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-[(3R)-1-ethynylpyrrolidin-3-yl]-5-phenylpyridazine-3-carboxamide is C#CN1CC[C@@H](NC(=O)c2cc(-c3ccccc3)cnn2)C1.
What is the InChIKey of N-[(3R)-1-ethynylpyrrolidin-3-yl]-5-phenylpyridazine-3-carboxamide?
The InChIKey is GWLUWRQNZMUBAS-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H16N4O/c1-2-21-9-8-15(12-21)19-17(22)16-10-14(11-18-20-16)13-6-4-3-5-7-13/h1,3-7,10-11,15H,8-9,12H2,(H,19,22)/t15-/m1/s1.
What are the key properties of N-[(3R)-1-ethynylpyrrolidin-3-yl]-5-phenylpyridazine-3-carboxamide?
N-[(3R)-1-ethynylpyrrolidin-3-yl]-5-phenylpyridazine-3-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-ethynylpyrrolidin-3-yl]-5-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 146676341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).