ethyl 4-[[2-[3-(dimethylamino)propylamino]pyridine-4-carbonyl]amino]piperidine-1-carboxylate

C19H31N5O3 — CID 109168341

IUPACethyl 4-[[2-[3-(dimethylamino)propylamino]pyridine-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccnc(NCCCN(C)C)c2)CC1
InChIInChI=1S/C19H31N5O3/c1-4-27-19(26)24-12-7-16(8-13-24)22-18(25)15-6-10-21-17(14-15)20-9-5-11-23(2)3/h6,10,14,16H,4-5,7-9,11-13H2,1-3H3,(H,20,21)(H,22,25)
InChIKeyJWOUWJJWEODZLJ-UHFFFAOYSA-N
MW377.49 g/mol
LogP1.80
Rot. Bonds8

About ethyl 4-[[2-[3-(dimethylamino)propylamino]pyridine-4-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-[3-(dimethylamino)propylamino]pyridine-4-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 109168341) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is ethyl 4-[[2-[3-(dimethylamino)propylamino]pyridine-4-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-[3-(dimethylamino)propylamino]pyridine-4-carbonyl]amino]piperidine-1-carboxylate
PubChem CID109168341
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC Nameethyl 4-[[2-[3-(dimethylamino)propylamino]pyridine-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccnc(NCCCN(C)C)c2)CC1
InChIInChI=1S/C19H31N5O3/c1-4-27-19(26)24-12-7-16(8-13-24)22-18(25)15-6-10-21-17(14-15)20-9-5-11-23(2)3/h6,10,14,16H,4-5,7-9,11-13H2,1-3H3,(H,20,21)(H,22,25)
InChIKeyJWOUWJJWEODZLJ-UHFFFAOYSA-N
XLogP1.80
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[2-(butylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109165564
ethyl 4-[2-[2-(dimethylamino)ethylamino]pyridine-4-carbonyl]piperazine-1-carboxylate
CID 109167814
ethyl 4-[[2-(furan-2-ylmethylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109169338
ethyl 4-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109174202
ethyl 4-[[2-(pentylcarbamoyl)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109088657
ethyl 4-[[4-(propylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109165045
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[[6-(butylamino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109339864
ethyl 4-[(4-ethoxy-3-methylbenzoyl)amino]piperidine-1-carboxylate
CID 110762169
ethyl 4-[[2-(morpholine-4-carbonyl)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109082996
N-butyl-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide
CID 109165408
ethyl 4-[[4-[(3,4-dimethylphenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109174231

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[3-(dimethylamino)propylamino]pyridine-4-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-[3-(dimethylamino)propylamino]pyridine-4-carbonyl]amino]piperidine-1-carboxylate (CID 109168341) is ethyl 4-[[2-[3-(dimethylamino)propylamino]pyridine-4-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-[3-(dimethylamino)propylamino]pyridine-4-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-[3-(dimethylamino)propylamino]pyridine-4-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2ccnc(NCCCN(C)C)c2)CC1.
What is the InChIKey of ethyl 4-[[2-[3-(dimethylamino)propylamino]pyridine-4-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is JWOUWJJWEODZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O3/c1-4-27-19(26)24-12-7-16(8-13-24)22-18(25)15-6-10-21-17(14-15)20-9-5-11-23(2)3/h6,10,14,16H,4-5,7-9,11-13H2,1-3H3,(H,20,21)(H,22,25).
What are the key properties of ethyl 4-[[2-[3-(dimethylamino)propylamino]pyridine-4-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-[3-(dimethylamino)propylamino]pyridine-4-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 377.49 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[3-(dimethylamino)propylamino]pyridine-4-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109168341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).