(2S,3S)-3-methyl-N-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylazetidine-1-carboxamide

C19H20N6O — CID 125139517

IUPAC(2S,3S)-3-methyl-N-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylazetidine-1-carboxamide
SMILESC[C@H]1CN(C(=O)Nc2ccc(-c3cnn(C)c3)nn2)[C@@H]1c1ccccc1
InChIInChI=1S/C19H20N6O/c1-13-11-25(18(13)14-6-4-3-5-7-14)19(26)21-17-9-8-16(22-23-17)15-10-20-24(2)12-15/h3-10,12-13,18H,11H2,1-2H3,(H,21,23,26)/t13-,18-/m0/s1
InChIKeyNWQQBFDTQBIUFL-UGSOOPFHSA-N
MW348.41 g/mol
LogP3.10
Rot. Bonds3

About (2S,3S)-3-methyl-N-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylazetidine-1-carboxamide

(2S,3S)-3-methyl-N-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylazetidine-1-carboxamide (PubChem CID 125139517) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is (2S,3S)-3-methyl-N-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylazetidine-1-carboxamide.

Molecular Properties

Compound Name(2S,3S)-3-methyl-N-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylazetidine-1-carboxamide
PubChem CID125139517
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name(2S,3S)-3-methyl-N-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylazetidine-1-carboxamide
SMILESC[C@H]1CN(C(=O)Nc2ccc(-c3cnn(C)c3)nn2)[C@@H]1c1ccccc1
InChIInChI=1S/C19H20N6O/c1-13-11-25(18(13)14-6-4-3-5-7-14)19(26)21-17-9-8-16(22-23-17)15-10-20-24(2)12-15/h3-10,12-13,18H,11H2,1-2H3,(H,21,23,26)/t13-,18-/m0/s1
InChIKeyNWQQBFDTQBIUFL-UGSOOPFHSA-N
XLogP3.10
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]urea
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CID 125139334
1-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]urea
CID 126826878
(2S,3S)-3-methyl-N-(3-nitro-4-pyridinyl)-2-phenylazetidine-1-carboxamide
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N-(4-carbamoyl-3-fluorophenyl)-3-methyl-2-phenylazetidine-1-carboxamide
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(2-hydroxyphenyl)-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]methanone
CID 97092730
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CID 119050853
2-[2-(4-cyanophenyl)ethylamino]-N-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylacetamide
CID 139426182
2-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylacetamide
CID 166005870
(2R,3S)-N-(cyclopropylmethyl)-3-methyl-2-phenylazetidine-1-carboxamide
CID 99774852
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-methyl-2-phenylazetidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-N-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylazetidine-1-carboxamide?
The IUPAC name of (2S,3S)-3-methyl-N-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylazetidine-1-carboxamide (CID 125139517) is (2S,3S)-3-methyl-N-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylazetidine-1-carboxamide.
What is the SMILES notation for (2S,3S)-3-methyl-N-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylazetidine-1-carboxamide?
The canonical SMILES for (2S,3S)-3-methyl-N-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylazetidine-1-carboxamide is C[C@H]1CN(C(=O)Nc2ccc(-c3cnn(C)c3)nn2)[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-3-methyl-N-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylazetidine-1-carboxamide?
The InChIKey is NWQQBFDTQBIUFL-UGSOOPFHSA-N. The full InChI is InChI=1S/C19H20N6O/c1-13-11-25(18(13)14-6-4-3-5-7-14)19(26)21-17-9-8-16(22-23-17)15-10-20-24(2)12-15/h3-10,12-13,18H,11H2,1-2H3,(H,21,23,26)/t13-,18-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-N-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylazetidine-1-carboxamide?
(2S,3S)-3-methyl-N-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylazetidine-1-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-N-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylazetidine-1-carboxamide is sourced from PubChem (CID 125139517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).