methyl 2-[2-oxo-5-[[(3S)-1-(5-propan-2-yl-3-pyridinyl)piperidine-3-carbonyl]amino]-1-pyridinyl]acetate

C22H28N4O4 — CID 169214528

IUPACmethyl 2-[2-oxo-5-[[(3S)-1-(5-propan-2-yl-3-pyridinyl)piperidine-3-carbonyl]amino]-1-pyridinyl]acetate
SMILESCOC(=O)Cn1cc(NC(=O)[C@H]2CCCN(c3cncc(C(C)C)c3)C2)ccc1=O
InChIInChI=1S/C22H28N4O4/c1-15(2)17-9-19(11-23-10-17)25-8-4-5-16(12-25)22(29)24-18-6-7-20(27)26(13-18)14-21(28)30-3/h6-7,9-11,13,15-16H,4-5,8,12,14H2,1-3H3,(H,24,29)/t16-/m0/s1
InChIKeyJZJDETWJSWNMBA-INIZCTEOSA-N
MW412.49 g/mol
LogP2.39
Rot. Bonds6

About methyl 2-[2-oxo-5-[[(3S)-1-(5-propan-2-yl-3-pyridinyl)piperidine-3-carbonyl]amino]-1-pyridinyl]acetate

methyl 2-[2-oxo-5-[[(3S)-1-(5-propan-2-yl-3-pyridinyl)piperidine-3-carbonyl]amino]-1-pyridinyl]acetate (PubChem CID 169214528) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is methyl 2-[2-oxo-5-[[(3S)-1-(5-propan-2-yl-3-pyridinyl)piperidine-3-carbonyl]amino]-1-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-oxo-5-[[(3S)-1-(5-propan-2-yl-3-pyridinyl)piperidine-3-carbonyl]amino]-1-pyridinyl]acetate
PubChem CID169214528
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC Namemethyl 2-[2-oxo-5-[[(3S)-1-(5-propan-2-yl-3-pyridinyl)piperidine-3-carbonyl]amino]-1-pyridinyl]acetate
SMILESCOC(=O)Cn1cc(NC(=O)[C@H]2CCCN(c3cncc(C(C)C)c3)C2)ccc1=O
InChIInChI=1S/C22H28N4O4/c1-15(2)17-9-19(11-23-10-17)25-8-4-5-16(12-25)22(29)24-18-6-7-20(27)26(13-18)14-21(28)30-3/h6-7,9-11,13,15-16H,4-5,8,12,14H2,1-3H3,(H,24,29)/t16-/m0/s1
InChIKeyJZJDETWJSWNMBA-INIZCTEOSA-N
XLogP2.39
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[2-oxo-5-[[(3S)-1-(5-propan-2-yl-3-pyridinyl)piperidine-3-carbonyl]amino]-1-pyridinyl]acetate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[5-[[(3S)-1-(5-nitro-3-pyridinyl)piperidine-3-carbonyl]amino]-2-oxo-1-pyridinyl]acetate
CID 169214974
ethyl 2-[5-[[(3S)-1-[5-(6-aminohexyl)-3-pyridinyl]piperidine-3-carbonyl]amino]-2-oxo-1-pyridinyl]acetate
CID 169214693
2-[5-[[1-(5-nitro-3-pyridinyl)piperidine-3-carbonyl]amino]-2-oxo-1-pyridinyl]acetic acid
CID 169214084
ethyl 2-[5-[[(3S)-1-[5-[2-(cyclohexylmethylamino)ethyl]-3-pyridinyl]piperidine-3-carbonyl]amino]-2-oxo-1-pyridinyl]acetate
CID 169214931
2-[2-oxo-5-[[(3S)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid
CID 169213851
tert-butyl 3-[[1-(2-methoxy-2-oxoethyl)-6-oxo-3-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 169214190
2-[5-[[(3S)-1-[5-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-pyridinyl]piperidine-3-carbonyl]amino]-2-oxo-1-pyridinyl]acetic acid
CID 170164598
N-(4-methoxyphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 53203894
2-[4-cyclopropyl-2-oxo-5-[[(3R)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid
CID 169214216
(3S)-N-(3,4-dimethylphenyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 95115303
N-(4-propan-2-ylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 16875992
(3S)-1-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 1452732

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-oxo-5-[[(3S)-1-(5-propan-2-yl-3-pyridinyl)piperidine-3-carbonyl]amino]-1-pyridinyl]acetate?
The IUPAC name of methyl 2-[2-oxo-5-[[(3S)-1-(5-propan-2-yl-3-pyridinyl)piperidine-3-carbonyl]amino]-1-pyridinyl]acetate (CID 169214528) is methyl 2-[2-oxo-5-[[(3S)-1-(5-propan-2-yl-3-pyridinyl)piperidine-3-carbonyl]amino]-1-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[2-oxo-5-[[(3S)-1-(5-propan-2-yl-3-pyridinyl)piperidine-3-carbonyl]amino]-1-pyridinyl]acetate?
The canonical SMILES for methyl 2-[2-oxo-5-[[(3S)-1-(5-propan-2-yl-3-pyridinyl)piperidine-3-carbonyl]amino]-1-pyridinyl]acetate is COC(=O)Cn1cc(NC(=O)[C@H]2CCCN(c3cncc(C(C)C)c3)C2)ccc1=O.
What is the InChIKey of methyl 2-[2-oxo-5-[[(3S)-1-(5-propan-2-yl-3-pyridinyl)piperidine-3-carbonyl]amino]-1-pyridinyl]acetate?
The InChIKey is JZJDETWJSWNMBA-INIZCTEOSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-15(2)17-9-19(11-23-10-17)25-8-4-5-16(12-25)22(29)24-18-6-7-20(27)26(13-18)14-21(28)30-3/h6-7,9-11,13,15-16H,4-5,8,12,14H2,1-3H3,(H,24,29)/t16-/m0/s1.
What are the key properties of methyl 2-[2-oxo-5-[[(3S)-1-(5-propan-2-yl-3-pyridinyl)piperidine-3-carbonyl]amino]-1-pyridinyl]acetate?
methyl 2-[2-oxo-5-[[(3S)-1-(5-propan-2-yl-3-pyridinyl)piperidine-3-carbonyl]amino]-1-pyridinyl]acetate has a molecular weight of 412.49 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-oxo-5-[[(3S)-1-(5-propan-2-yl-3-pyridinyl)piperidine-3-carbonyl]amino]-1-pyridinyl]acetate is sourced from PubChem (CID 169214528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).