ethyl 2-[(4-butylcyclohexanecarbonyl)amino]pyridine-3-carboxylate

C19H28N2O3 — CID 110440902

IUPACethyl 2-[(4-butylcyclohexanecarbonyl)amino]pyridine-3-carboxylate
SMILESCCCCC1CCC(C(=O)Nc2ncccc2C(=O)OCC)CC1
InChIInChI=1S/C19H28N2O3/c1-3-5-7-14-9-11-15(12-10-14)18(22)21-17-16(8-6-13-20-17)19(23)24-4-2/h6,8,13-15H,3-5,7,9-12H2,1-2H3,(H,20,21,22)
InChIKeyPQVJVLRTUYLDES-UHFFFAOYSA-N
MW332.44 g/mol
LogP4.19
Rot. Bonds7

About ethyl 2-[(4-butylcyclohexanecarbonyl)amino]pyridine-3-carboxylate

ethyl 2-[(4-butylcyclohexanecarbonyl)amino]pyridine-3-carboxylate (PubChem CID 110440902) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is ethyl 2-[(4-butylcyclohexanecarbonyl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-butylcyclohexanecarbonyl)amino]pyridine-3-carboxylate
PubChem CID110440902
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Nameethyl 2-[(4-butylcyclohexanecarbonyl)amino]pyridine-3-carboxylate
SMILESCCCCC1CCC(C(=O)Nc2ncccc2C(=O)OCC)CC1
InChIInChI=1S/C19H28N2O3/c1-3-5-7-14-9-11-15(12-10-14)18(22)21-17-16(8-6-13-20-17)19(23)24-4-2/h6,8,13-15H,3-5,7,9-12H2,1-2H3,(H,20,21,22)
InChIKeyPQVJVLRTUYLDES-UHFFFAOYSA-N
XLogP4.19
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 104695510
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CID 19206940
ethyl 2-(tert-butylamino)pyridine-3-carboxylate
CID 90095757
ethyl 2-[(3-aminocyclobutyl)amino]pyridine-3-carboxylate
CID 43599375
ethyl 2-(thian-4-ylmethylamino)pyridine-3-carboxylate
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ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652
ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carboxylate
CID 107849492
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CID 133469048

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-butylcyclohexanecarbonyl)amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[(4-butylcyclohexanecarbonyl)amino]pyridine-3-carboxylate (CID 110440902) is ethyl 2-[(4-butylcyclohexanecarbonyl)amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[(4-butylcyclohexanecarbonyl)amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[(4-butylcyclohexanecarbonyl)amino]pyridine-3-carboxylate is CCCCC1CCC(C(=O)Nc2ncccc2C(=O)OCC)CC1.
What is the InChIKey of ethyl 2-[(4-butylcyclohexanecarbonyl)amino]pyridine-3-carboxylate?
The InChIKey is PQVJVLRTUYLDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-3-5-7-14-9-11-15(12-10-14)18(22)21-17-16(8-6-13-20-17)19(23)24-4-2/h6,8,13-15H,3-5,7,9-12H2,1-2H3,(H,20,21,22).
What are the key properties of ethyl 2-[(4-butylcyclohexanecarbonyl)amino]pyridine-3-carboxylate?
ethyl 2-[(4-butylcyclohexanecarbonyl)amino]pyridine-3-carboxylate has a molecular weight of 332.44 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-butylcyclohexanecarbonyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 110440902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).