methyl 5-[[[2-(cyclohexylmethyl)-3-methylbutanoyl]amino]methyl]pyridine-2-carboxylate

C20H30N2O3 — CID 166373465

IUPACmethyl 5-[[[2-(cyclohexylmethyl)-3-methylbutanoyl]amino]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(CNC(=O)C(CC2CCCCC2)C(C)C)cn1
InChIInChI=1S/C20H30N2O3/c1-14(2)17(11-15-7-5-4-6-8-15)19(23)22-13-16-9-10-18(21-12-16)20(24)25-3/h9-10,12,14-15,17H,4-8,11,13H2,1-3H3,(H,22,23)
InChIKeyNEUWNKXYUPHWEC-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.73
Rot. Bonds7

About methyl 5-[[[2-(cyclohexylmethyl)-3-methylbutanoyl]amino]methyl]pyridine-2-carboxylate

methyl 5-[[[2-(cyclohexylmethyl)-3-methylbutanoyl]amino]methyl]pyridine-2-carboxylate (PubChem CID 166373465) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is methyl 5-[[[2-(cyclohexylmethyl)-3-methylbutanoyl]amino]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[[2-(cyclohexylmethyl)-3-methylbutanoyl]amino]methyl]pyridine-2-carboxylate
PubChem CID166373465
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Namemethyl 5-[[[2-(cyclohexylmethyl)-3-methylbutanoyl]amino]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(CNC(=O)C(CC2CCCCC2)C(C)C)cn1
InChIInChI=1S/C20H30N2O3/c1-14(2)17(11-15-7-5-4-6-8-15)19(23)22-13-16-9-10-18(21-12-16)20(24)25-3/h9-10,12,14-15,17H,4-8,11,13H2,1-3H3,(H,22,23)
InChIKeyNEUWNKXYUPHWEC-UHFFFAOYSA-N
XLogP3.73
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-[[[2-(cyclohexylmethyl)-3-methylbutanoyl]amino]methyl]pyridine-2-carboxylate with MolForge

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Related Compounds

methyl 5-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]pyridine-2-carboxylate
CID 164632857
(2R)-N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-cyclohexyl-1-oxopropan-2-yl]-3-methyl-2-(methylamino)pentanamide
CID 90859356
methyl 5-[[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928102
5-[(cyclobutylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81096105
methyl 4-[[[(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoyl]amino]methyl]benzoate
CID 40799907
2-(cyclohexylmethyl)-3-methyl-N-[3-(methylamino)propyl]butanamide
CID 119432403
5-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81098482
4-[4-[[(3-cyclopentyl-2-methylpropanoyl)amino]methyl]phenoxy]butanoic acid
CID 119247037
5-[[[(2R)-2-aminopropanoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81100486
ethane;methyl 5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxylate
CID 142388735
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[(4-methoxyphenyl)methyl]butanamide
CID 15516889
methyl 5-piperidin-2-ylpyridine-2-carboxylate
CID 54396693

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[[2-(cyclohexylmethyl)-3-methylbutanoyl]amino]methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[[[2-(cyclohexylmethyl)-3-methylbutanoyl]amino]methyl]pyridine-2-carboxylate (CID 166373465) is methyl 5-[[[2-(cyclohexylmethyl)-3-methylbutanoyl]amino]methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[[[2-(cyclohexylmethyl)-3-methylbutanoyl]amino]methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[[[2-(cyclohexylmethyl)-3-methylbutanoyl]amino]methyl]pyridine-2-carboxylate is COC(=O)c1ccc(CNC(=O)C(CC2CCCCC2)C(C)C)cn1.
What is the InChIKey of methyl 5-[[[2-(cyclohexylmethyl)-3-methylbutanoyl]amino]methyl]pyridine-2-carboxylate?
The InChIKey is NEUWNKXYUPHWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-14(2)17(11-15-7-5-4-6-8-15)19(23)22-13-16-9-10-18(21-12-16)20(24)25-3/h9-10,12,14-15,17H,4-8,11,13H2,1-3H3,(H,22,23).
What are the key properties of methyl 5-[[[2-(cyclohexylmethyl)-3-methylbutanoyl]amino]methyl]pyridine-2-carboxylate?
methyl 5-[[[2-(cyclohexylmethyl)-3-methylbutanoyl]amino]methyl]pyridine-2-carboxylate has a molecular weight of 346.47 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[[2-(cyclohexylmethyl)-3-methylbutanoyl]amino]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 166373465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).