methyl 3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]pentanoate

C20H25N3O3 — CID 112830437

IUPACmethyl 3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]pentanoate
SMILESCCC(C)C(NC(=O)c1ccc(N(C)c2ccccc2)nc1)C(=O)OC
InChIInChI=1S/C20H25N3O3/c1-5-14(2)18(20(25)26-4)22-19(24)15-11-12-17(21-13-15)23(3)16-9-7-6-8-10-16/h6-14,18H,5H2,1-4H3,(H,22,24)
InChIKeyKTURTQIDUVPLHI-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.17
Rot. Bonds7

About methyl 3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]pentanoate

methyl 3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]pentanoate (PubChem CID 112830437) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is methyl 3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]pentanoate
PubChem CID112830437
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Namemethyl 3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]pentanoate
SMILESCCC(C)C(NC(=O)c1ccc(N(C)c2ccccc2)nc1)C(=O)OC
InChIInChI=1S/C20H25N3O3/c1-5-14(2)18(20(25)26-4)22-19(24)15-11-12-17(21-13-15)23(3)16-9-7-6-8-10-16/h6-14,18H,5H2,1-4H3,(H,22,24)
InChIKeyKTURTQIDUVPLHI-UHFFFAOYSA-N
XLogP3.17
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
CID 119368692
methyl (2S,3S)-2-benzamido-3-methylpentanoate
CID 13148833
N-[2-(dimethylamino)-1-phenylethyl]-6-(N-methylanilino)pyridine-3-carboxamide
CID 112830639
3-methyl-4-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
CID 120537159
6-(N-methylanilino)pyridine-3-carboxylic acid
CID 16778360
methyl (2R,3S)-3-methyl-2-(naphthalene-2-carbonylamino)pentanoate
CID 9245605
6-(N-methylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109162323
N-(3,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 109162326
methyl (2S,3R)-2-[[ethyl(phenyl)carbamoyl]amino]-3-methylpentanoate
CID 41118317
(2S)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid
CID 61173952
4-methoxy-3-methyl-3-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
CID 120532367
methyl 3-methyl-2-[(6-phenoxypyridine-3-carbonyl)amino]butanoate
CID 78889163

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]pentanoate?
The IUPAC name of methyl 3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]pentanoate (CID 112830437) is methyl 3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]pentanoate.
What is the SMILES notation for methyl 3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]pentanoate?
The canonical SMILES for methyl 3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]pentanoate is CCC(C)C(NC(=O)c1ccc(N(C)c2ccccc2)nc1)C(=O)OC.
What is the InChIKey of methyl 3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]pentanoate?
The InChIKey is KTURTQIDUVPLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-5-14(2)18(20(25)26-4)22-19(24)15-11-12-17(21-13-15)23(3)16-9-7-6-8-10-16/h6-14,18H,5H2,1-4H3,(H,22,24).
What are the key properties of methyl 3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]pentanoate?
methyl 3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]pentanoate has a molecular weight of 355.44 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]pentanoate is sourced from PubChem (CID 112830437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).