(2S)-3-methyl-2-[[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]butanoic acid

C17H25N3O3 — CID 119360590

IUPAC(2S)-3-methyl-2-[[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]butanoic acid
SMILESCC1CCN(c2ccc(C(=O)N[C@H](C(=O)O)C(C)C)cn2)CC1
InChIInChI=1S/C17H25N3O3/c1-11(2)15(17(22)23)19-16(21)13-4-5-14(18-10-13)20-8-6-12(3)7-9-20/h4-5,10-12,15H,6-9H2,1-3H3,(H,19,21)(H,22,23)/t15-/m0/s1
InChIKeyQRWOKPJUCWFEFY-HNNXBMFYSA-N
MW319.41 g/mol
LogP2.16
Rot. Bonds5

About (2S)-3-methyl-2-[[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]butanoic acid

(2S)-3-methyl-2-[[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]butanoic acid (PubChem CID 119360590) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is (2S)-3-methyl-2-[[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-[[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]butanoic acid
PubChem CID119360590
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name(2S)-3-methyl-2-[[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]butanoic acid
SMILESCC1CCN(c2ccc(C(=O)N[C@H](C(=O)O)C(C)C)cn2)CC1
InChIInChI=1S/C17H25N3O3/c1-11(2)15(17(22)23)19-16(21)13-4-5-14(18-10-13)20-8-6-12(3)7-9-20/h4-5,10-12,15H,6-9H2,1-3H3,(H,19,21)(H,22,23)/t15-/m0/s1
InChIKeyQRWOKPJUCWFEFY-HNNXBMFYSA-N
XLogP2.16
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-3-methyl-2-[[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]butanoic acid with MolForge

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Related Compounds

N-[2-(methylamino)propyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 120827370
N-(2-amino-2-phenylethyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 119528228
N-(4-acetamidophenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152569
6-(4-methylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109152560
(2S)-2-[(6-fluoropyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 103804178
N-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 97023794
N-[[1-(methylamino)cyclopropyl]methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 167828040
N-[(1-hydroxycyclopentyl)methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 111332971
N-(4-acetyl-1,3-thiazol-2-yl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 132970054
N-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 901299
N-(2,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152594
N-(2,5-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152595

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]butanoic acid?
The IUPAC name of (2S)-3-methyl-2-[[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]butanoic acid (CID 119360590) is (2S)-3-methyl-2-[[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]butanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-[[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]butanoic acid?
The canonical SMILES for (2S)-3-methyl-2-[[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]butanoic acid is CC1CCN(c2ccc(C(=O)N[C@H](C(=O)O)C(C)C)cn2)CC1.
What is the InChIKey of (2S)-3-methyl-2-[[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]butanoic acid?
The InChIKey is QRWOKPJUCWFEFY-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-11(2)15(17(22)23)19-16(21)13-4-5-14(18-10-13)20-8-6-12(3)7-9-20/h4-5,10-12,15H,6-9H2,1-3H3,(H,19,21)(H,22,23)/t15-/m0/s1.
What are the key properties of (2S)-3-methyl-2-[[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]butanoic acid?
(2S)-3-methyl-2-[[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]butanoic acid has a molecular weight of 319.41 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]butanoic acid is sourced from PubChem (CID 119360590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).