ethyl 2-[5-[[(3S)-1-[5-(6-aminohexyl)-3-pyridinyl]piperidine-3-carbonyl]amino]-2-oxo-1-pyridinyl]acetate

C26H37N5O4 — CID 169214693

IUPACethyl 2-[5-[[(3S)-1-[5-(6-aminohexyl)-3-pyridinyl]piperidine-3-carbonyl]amino]-2-oxo-1-pyridinyl]acetate
SMILESCCOC(=O)Cn1cc(NC(=O)[C@H]2CCCN(c3cncc(CCCCCCN)c3)C2)ccc1=O
InChIInChI=1S/C26H37N5O4/c1-2-35-25(33)19-31-18-22(10-11-24(31)32)29-26(34)21-9-7-13-30(17-21)23-14-20(15-28-16-23)8-5-3-4-6-12-27/h10-11,14-16,18,21H,2-9,12-13,17,19,27H2,1H3,(H,29,34)/t21-/m0/s1
InChIKeyCVXLFNCCKJJNFU-NRFANRHFSA-N
MW483.61 g/mol
LogP2.72
Rot. Bonds12

About ethyl 2-[5-[[(3S)-1-[5-(6-aminohexyl)-3-pyridinyl]piperidine-3-carbonyl]amino]-2-oxo-1-pyridinyl]acetate

ethyl 2-[5-[[(3S)-1-[5-(6-aminohexyl)-3-pyridinyl]piperidine-3-carbonyl]amino]-2-oxo-1-pyridinyl]acetate (PubChem CID 169214693) has the molecular formula C26H37N5O4 and a molecular weight of 483.61 g/mol. Its IUPAC name is ethyl 2-[5-[[(3S)-1-[5-(6-aminohexyl)-3-pyridinyl]piperidine-3-carbonyl]amino]-2-oxo-1-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-[[(3S)-1-[5-(6-aminohexyl)-3-pyridinyl]piperidine-3-carbonyl]amino]-2-oxo-1-pyridinyl]acetate
PubChem CID169214693
Molecular FormulaC26H37N5O4
Molecular Weight483.61 g/mol
Exact Mass483.28
IUPAC Nameethyl 2-[5-[[(3S)-1-[5-(6-aminohexyl)-3-pyridinyl]piperidine-3-carbonyl]amino]-2-oxo-1-pyridinyl]acetate
SMILESCCOC(=O)Cn1cc(NC(=O)[C@H]2CCCN(c3cncc(CCCCCCN)c3)C2)ccc1=O
InChIInChI=1S/C26H37N5O4/c1-2-35-25(33)19-31-18-22(10-11-24(31)32)29-26(34)21-9-7-13-30(17-21)23-14-20(15-28-16-23)8-5-3-4-6-12-27/h10-11,14-16,18,21H,2-9,12-13,17,19,27H2,1H3,(H,29,34)/t21-/m0/s1
InChIKeyCVXLFNCCKJJNFU-NRFANRHFSA-N
XLogP2.72
TPSA119.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 2-[5-[[(3S)-1-[5-(6-aminohexyl)-3-pyridinyl]piperidine-3-carbonyl]amino]-2-oxo-1-pyridinyl]acetate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[5-[[(3S)-1-[5-[2-(cyclohexylmethylamino)ethyl]-3-pyridinyl]piperidine-3-carbonyl]amino]-2-oxo-1-pyridinyl]acetate
CID 169214931
ethyl 2-[5-[[(3S)-1-(5-nitro-3-pyridinyl)piperidine-3-carbonyl]amino]-2-oxo-1-pyridinyl]acetate
CID 169214974
methyl 2-[2-oxo-5-[[(3S)-1-(5-propan-2-yl-3-pyridinyl)piperidine-3-carbonyl]amino]-1-pyridinyl]acetate
CID 169214528
2-[5-[[1-(5-nitro-3-pyridinyl)piperidine-3-carbonyl]amino]-2-oxo-1-pyridinyl]acetic acid
CID 169214084
2-[2-oxo-5-[[(3S)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid
CID 169213851
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
ethyl (3S)-1-(5-ethyl-3-pyridinyl)piperidine-3-carboxylate
CID 169213809
tert-butyl 3-[[1-(2-methoxy-2-oxoethyl)-6-oxo-3-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 169214190
N-(4-ethoxyphenyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 71839397
N-(4-methoxyphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 53203894
(3S)-N-(3,4-dimethylphenyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 95115303
1-(1-benzyl-6-oxopyridazin-4-yl)-N-(3-ethylphenyl)piperidine-3-carboxamide
CID 53204023

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[[(3S)-1-[5-(6-aminohexyl)-3-pyridinyl]piperidine-3-carbonyl]amino]-2-oxo-1-pyridinyl]acetate?
The IUPAC name of ethyl 2-[5-[[(3S)-1-[5-(6-aminohexyl)-3-pyridinyl]piperidine-3-carbonyl]amino]-2-oxo-1-pyridinyl]acetate (CID 169214693) is ethyl 2-[5-[[(3S)-1-[5-(6-aminohexyl)-3-pyridinyl]piperidine-3-carbonyl]amino]-2-oxo-1-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[5-[[(3S)-1-[5-(6-aminohexyl)-3-pyridinyl]piperidine-3-carbonyl]amino]-2-oxo-1-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[5-[[(3S)-1-[5-(6-aminohexyl)-3-pyridinyl]piperidine-3-carbonyl]amino]-2-oxo-1-pyridinyl]acetate is CCOC(=O)Cn1cc(NC(=O)[C@H]2CCCN(c3cncc(CCCCCCN)c3)C2)ccc1=O.
What is the InChIKey of ethyl 2-[5-[[(3S)-1-[5-(6-aminohexyl)-3-pyridinyl]piperidine-3-carbonyl]amino]-2-oxo-1-pyridinyl]acetate?
The InChIKey is CVXLFNCCKJJNFU-NRFANRHFSA-N. The full InChI is InChI=1S/C26H37N5O4/c1-2-35-25(33)19-31-18-22(10-11-24(31)32)29-26(34)21-9-7-13-30(17-21)23-14-20(15-28-16-23)8-5-3-4-6-12-27/h10-11,14-16,18,21H,2-9,12-13,17,19,27H2,1H3,(H,29,34)/t21-/m0/s1.
What are the key properties of ethyl 2-[5-[[(3S)-1-[5-(6-aminohexyl)-3-pyridinyl]piperidine-3-carbonyl]amino]-2-oxo-1-pyridinyl]acetate?
ethyl 2-[5-[[(3S)-1-[5-(6-aminohexyl)-3-pyridinyl]piperidine-3-carbonyl]amino]-2-oxo-1-pyridinyl]acetate has a molecular weight of 483.61 g/mol, XLogP of 2.72, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[[(3S)-1-[5-(6-aminohexyl)-3-pyridinyl]piperidine-3-carbonyl]amino]-2-oxo-1-pyridinyl]acetate is sourced from PubChem (CID 169214693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).