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

C19H31N5O2 — CID 70773681

IUPAC(2S)-2-amino-2-cyclohexyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide
SMILESCn1ncc(N2CCC(CNC(=O)[C@@H](N)C3CCCCC3)CC2)cc1=O
InChIInChI=1S/C19H31N5O2/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/h11,13-15,18H,2-10,12,20H2,1H3,(H,21,26)/t18-/m0/s1
InChIKeyCQEHNKHHFOSDNI-SFHVURJKSA-N
MW361.49 g/mol
LogP1.02
Rot. Bonds5

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

(2S)-2-amino-2-cyclohexyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide (PubChem CID 70773681) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is (2S)-2-amino-2-cyclohexyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name(2S)-2-amino-2-cyclohexyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide
PubChem CID70773681
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name(2S)-2-amino-2-cyclohexyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide
SMILESCn1ncc(N2CCC(CNC(=O)[C@@H](N)C3CCCCC3)CC2)cc1=O
InChIInChI=1S/C19H31N5O2/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/h11,13-15,18H,2-10,12,20H2,1H3,(H,21,26)/t18-/m0/s1
InChIKeyCQEHNKHHFOSDNI-SFHVURJKSA-N
XLogP1.02
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-cyclohexyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of (2S)-2-amino-2-cyclohexyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide (CID 70773681) is (2S)-2-amino-2-cyclohexyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for (2S)-2-amino-2-cyclohexyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for (2S)-2-amino-2-cyclohexyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide is Cn1ncc(N2CCC(CNC(=O)[C@@H](N)C3CCCCC3)CC2)cc1=O.
What is the InChIKey of (2S)-2-amino-2-cyclohexyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide?
The InChIKey is CQEHNKHHFOSDNI-SFHVURJKSA-N. The full InChI is InChI=1S/C19H31N5O2/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/h11,13-15,18H,2-10,12,20H2,1H3,(H,21,26)/t18-/m0/s1.
What are the key properties of (2S)-2-amino-2-cyclohexyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide?
(2S)-2-amino-2-cyclohexyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide has a molecular weight of 361.49 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-cyclohexyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 70773681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).