(2S)-2-amino-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-phenylacetamide

C19H25N5O2 — CID 70739974

IUPAC(2S)-2-amino-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-phenylacetamide
SMILESCn1ncc(N2CCC(CNC(=O)[C@@H](N)c3ccccc3)CC2)cc1=O
InChIInChI=1S/C19H25N5O2/c1-23-17(25)11-16(13-22-23)24-9-7-14(8-10-24)12-21-19(26)18(20)15-5-3-2-4-6-15/h2-6,11,13-14,18H,7-10,12,20H2,1H3,(H,21,26)/t18-/m0/s1
InChIKeyYVFAFSNFKFBAPR-SFHVURJKSA-N
MW355.44 g/mol
LogP0.81
Rot. Bonds5

About (2S)-2-amino-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-phenylacetamide

(2S)-2-amino-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-phenylacetamide (PubChem CID 70739974) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (2S)-2-amino-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-phenylacetamide
PubChem CID70739974
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name(2S)-2-amino-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-phenylacetamide
SMILESCn1ncc(N2CCC(CNC(=O)[C@@H](N)c3ccccc3)CC2)cc1=O
InChIInChI=1S/C19H25N5O2/c1-23-17(25)11-16(13-22-23)24-9-7-14(8-10-24)12-21-19(26)18(20)15-5-3-2-4-6-15/h2-6,11,13-14,18H,7-10,12,20H2,1H3,(H,21,26)/t18-/m0/s1
InChIKeyYVFAFSNFKFBAPR-SFHVURJKSA-N
XLogP0.81
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-phenylacetamide (CID 70739974) is (2S)-2-amino-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-phenylacetamide is Cn1ncc(N2CCC(CNC(=O)[C@@H](N)c3ccccc3)CC2)cc1=O.
What is the InChIKey of (2S)-2-amino-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-phenylacetamide?
The InChIKey is YVFAFSNFKFBAPR-SFHVURJKSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-23-17(25)11-16(13-22-23)24-9-7-14(8-10-24)12-21-19(26)18(20)15-5-3-2-4-6-15/h2-6,11,13-14,18H,7-10,12,20H2,1H3,(H,21,26)/t18-/m0/s1.
What are the key properties of (2S)-2-amino-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-phenylacetamide?
(2S)-2-amino-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-phenylacetamide has a molecular weight of 355.44 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-phenylacetamide is sourced from PubChem (CID 70739974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).