N-ethyl-N-methyl-6-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide;methane;N-methylethanamine;methyl 6-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxylate

C32H52N8O5 — CID 162045495

IUPACN-ethyl-N-methyl-6-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide;methane;N-methylethanamine;methyl 6-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxylate
SMILESC.CCN(C)C(=O)c1ccc(C(=O)N2CCN(C)CC2)nc1.CCNC.COC(=O)c1ccc(C(=O)N2CCN(C)CC2)nc1
InChIInChI=1S/C15H22N4O2.C13H17N3O3.C3H9N.CH4/c1-4-18(3)14(20)12-5-6-13(16-11-12)15(21)19-9-7-17(2)8-10-19;1-15-5-7-16(8-6-15)12(17)11-4-3-10(9-14-11)13(18)19-2;1-3-4-2;/h5-6,11H,4,7-10H2,1-3H3;3-4,9H,5-8H2,1-2H3;4H,3H2,1-2H3;1H4
InChIKeyYXVFRYBFXZSDCO-UHFFFAOYSA-N
MW628.82 g/mol
LogP1.68
Rot. Bonds6

About N-ethyl-N-methyl-6-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide;methane;N-methylethanamine;methyl 6-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxylate

N-ethyl-N-methyl-6-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide;methane;N-methylethanamine;methyl 6-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxylate (PubChem CID 162045495) has the molecular formula C32H52N8O5 and a molecular weight of 628.82 g/mol. Its IUPAC name is N-ethyl-N-methyl-6-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide;methane;N-methylethanamine;methyl 6-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxylate.

Molecular Properties

Compound NameN-ethyl-N-methyl-6-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide;methane;N-methylethanamine;methyl 6-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxylate
PubChem CID162045495
Molecular FormulaC32H52N8O5
Molecular Weight628.82 g/mol
Exact Mass628.41
IUPAC NameN-ethyl-N-methyl-6-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide;methane;N-methylethanamine;methyl 6-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxylate
SMILESC.CCN(C)C(=O)c1ccc(C(=O)N2CCN(C)CC2)nc1.CCNC.COC(=O)c1ccc(C(=O)N2CCN(C)CC2)nc1
InChIInChI=1S/C15H22N4O2.C13H17N3O3.C3H9N.CH4/c1-4-18(3)14(20)12-5-6-13(16-11-12)15(21)19-9-7-17(2)8-10-19;1-15-5-7-16(8-6-15)12(17)11-4-3-10(9-14-11)13(18)19-2;1-3-4-2;/h5-6,11H,4,7-10H2,1-3H3;3-4,9H,5-8H2,1-2H3;4H,3H2,1-2H3;1H4
InChIKeyYXVFRYBFXZSDCO-UHFFFAOYSA-N
XLogP1.68
TPSA131.52 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500628.82
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-ethyl-N-methyl-6-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide;methane;N-methylethanamine;methyl 6-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 4'-(phenethylcarbamoyl)-[2,2'-bipyridine]-4-carboxylate (N4)
CID 121595845
Methyl 6-[3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]pyridine-3-carboxylate
CID 24791265
Methyl 6-({3-[(4-isopropylphenyl)amino]-1-piperidinyl}carbonyl)nicotinate
CID 24792970
methyl 5-[4-[(2S)-2-[(2-phenylacetyl)amino]-6-(prop-2-enoylamino)hexanoyl]piperazin-1-yl]pyridine-2-carboxylate
CID 145968505
benzyl N-[(2S)-1-oxo-6-(prop-2-enoylamino)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]hexan-2-yl]carbamate
CID 137661324
Methyl 4-({[2-(4-phenylpiperazin-1-yl)-2-(pyridin-3-yl)ethyl]carbamoyl}formamido)benzoate
CID 16034782
Methyl 6-({[1-(4-chlorobenzyl)-3-piperidinyl]amino}carbonyl)nicotinate
CID 23723262
Methyl 6-{[[1-(2-fluorobenzyl)-3-piperidinyl](methyl)amino]carbonyl}nicotinate
CID 23723812
Methyl 6-({3-[4-(4-fluorophenyl)-1-piperazinyl]-1-piperidinyl}carbonyl)nicotinate
CID 24816895
benzyl N-[(2S)-1-oxo-6-(prop-2-enoylamino)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]hexan-2-yl]carbamate
CID 137659185
Methyl 6-(4-toluidinocarbonyl)nicotinate
CID 586501
Methyl 6-(((tert-butoxycarbonyl)amino)methyl)nicotinate
CID 21083282

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-6-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide;methane;N-methylethanamine;methyl 6-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxylate?
The IUPAC name of N-ethyl-N-methyl-6-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide;methane;N-methylethanamine;methyl 6-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxylate (CID 162045495) is N-ethyl-N-methyl-6-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide;methane;N-methylethanamine;methyl 6-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxylate.
What is the SMILES notation for N-ethyl-N-methyl-6-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide;methane;N-methylethanamine;methyl 6-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxylate?
The canonical SMILES for N-ethyl-N-methyl-6-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide;methane;N-methylethanamine;methyl 6-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxylate is C.CCN(C)C(=O)c1ccc(C(=O)N2CCN(C)CC2)nc1.CCNC.COC(=O)c1ccc(C(=O)N2CCN(C)CC2)nc1.
What is the InChIKey of N-ethyl-N-methyl-6-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide;methane;N-methylethanamine;methyl 6-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxylate?
The InChIKey is YXVFRYBFXZSDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2.C13H17N3O3.C3H9N.CH4/c1-4-18(3)14(20)12-5-6-13(16-11-12)15(21)19-9-7-17(2)8-10-19;1-15-5-7-16(8-6-15)12(17)11-4-3-10(9-14-11)13(18)19-2;1-3-4-2;/h5-6,11H,4,7-10H2,1-3H3;3-4,9H,5-8H2,1-2H3;4H,3H2,1-2H3;1H4.
What are the key properties of N-ethyl-N-methyl-6-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide;methane;N-methylethanamine;methyl 6-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxylate?
N-ethyl-N-methyl-6-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide;methane;N-methylethanamine;methyl 6-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxylate has a molecular weight of 628.82 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-6-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide;methane;N-methylethanamine;methyl 6-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxylate is sourced from PubChem (CID 162045495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).