ethyl 2-[[6-(N-methylanilino)pyridine-3-carbonyl]-(2-methylpropyl)amino]acetate

C21H27N3O3 — CID 112831032

IUPACethyl 2-[[6-(N-methylanilino)pyridine-3-carbonyl]-(2-methylpropyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)C)C(=O)c1ccc(N(C)c2ccccc2)nc1
InChIInChI=1S/C21H27N3O3/c1-5-27-20(25)15-24(14-16(2)3)21(26)17-11-12-19(22-13-17)23(4)18-9-7-6-8-10-18/h6-13,16H,5,14-15H2,1-4H3
InChIKeyXPQKXXORKNUONU-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.51
Rot. Bonds8

About ethyl 2-[[6-(N-methylanilino)pyridine-3-carbonyl]-(2-methylpropyl)amino]acetate

ethyl 2-[[6-(N-methylanilino)pyridine-3-carbonyl]-(2-methylpropyl)amino]acetate (PubChem CID 112831032) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is ethyl 2-[[6-(N-methylanilino)pyridine-3-carbonyl]-(2-methylpropyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[6-(N-methylanilino)pyridine-3-carbonyl]-(2-methylpropyl)amino]acetate
PubChem CID112831032
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Nameethyl 2-[[6-(N-methylanilino)pyridine-3-carbonyl]-(2-methylpropyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)C)C(=O)c1ccc(N(C)c2ccccc2)nc1
InChIInChI=1S/C21H27N3O3/c1-5-27-20(25)15-24(14-16(2)3)21(26)17-11-12-19(22-13-17)23(4)18-9-7-6-8-10-18/h6-13,16H,5,14-15H2,1-4H3
InChIKeyXPQKXXORKNUONU-UHFFFAOYSA-N
XLogP3.51
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[6-(N-methylanilino)pyridine-3-carbonyl]-(2-methylpropyl)amino]acetate with MolForge

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Related Compounds

5H-Pyrido(2,3-b)(1,5)benzodiazepin-5-one, 11-ethyl-6,11-dihydro-6-methyl-
CID 453251
N6,N11-Diethyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
CID 453254
N6-Methyl-N11-propyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
CID 453255
N11-Isopropyl-N6-methyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
CID 453256
3-Pyridinecarboxamide, 2-(4-morpholinyl)-N-phenyl-
CID 714698
Nevirapin 2,4-Disubstituted deriv. 12a
CID 464562
N6,N11-Dimethyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
CID 453252
N11-Butyl-N6-methyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
CID 453257
N11-(2-Hydroxyethyl)-N6-methyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
CID 453261
methyl (2E)-3-{2-ethyl-9-methyl-10-oxo-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-13-yl}prop-2-enoate
CID 5327623
6-Morpholinonicotinamide
CID 260349
5,11-Dihydro-11-ethyl-5-methyl-2-morpholino-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
CID 463551

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-(N-methylanilino)pyridine-3-carbonyl]-(2-methylpropyl)amino]acetate?
The IUPAC name of ethyl 2-[[6-(N-methylanilino)pyridine-3-carbonyl]-(2-methylpropyl)amino]acetate (CID 112831032) is ethyl 2-[[6-(N-methylanilino)pyridine-3-carbonyl]-(2-methylpropyl)amino]acetate.
What is the SMILES notation for ethyl 2-[[6-(N-methylanilino)pyridine-3-carbonyl]-(2-methylpropyl)amino]acetate?
The canonical SMILES for ethyl 2-[[6-(N-methylanilino)pyridine-3-carbonyl]-(2-methylpropyl)amino]acetate is CCOC(=O)CN(CC(C)C)C(=O)c1ccc(N(C)c2ccccc2)nc1.
What is the InChIKey of ethyl 2-[[6-(N-methylanilino)pyridine-3-carbonyl]-(2-methylpropyl)amino]acetate?
The InChIKey is XPQKXXORKNUONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-5-27-20(25)15-24(14-16(2)3)21(26)17-11-12-19(22-13-17)23(4)18-9-7-6-8-10-18/h6-13,16H,5,14-15H2,1-4H3.
What are the key properties of ethyl 2-[[6-(N-methylanilino)pyridine-3-carbonyl]-(2-methylpropyl)amino]acetate?
ethyl 2-[[6-(N-methylanilino)pyridine-3-carbonyl]-(2-methylpropyl)amino]acetate has a molecular weight of 369.47 g/mol, XLogP of 3.51, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6-(N-methylanilino)pyridine-3-carbonyl]-(2-methylpropyl)amino]acetate is sourced from PubChem (CID 112831032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).