3-[cyclopropyl-[6-(N-methylanilino)pyridine-3-carbonyl]amino]-2-methylpropanoic acid

C20H23N3O3 — CID 120535398

IUPAC3-[cyclopropyl-[6-(N-methylanilino)pyridine-3-carbonyl]amino]-2-methylpropanoic acid
SMILESCC(CN(C(=O)c1ccc(N(C)c2ccccc2)nc1)C1CC1)C(=O)O
InChIInChI=1S/C20H23N3O3/c1-14(20(25)26)13-23(17-9-10-17)19(24)15-8-11-18(21-12-15)22(2)16-6-4-3-5-7-16/h3-8,11-12,14,17H,9-10,13H2,1-2H3,(H,25,26)
InChIKeyPFVUIVPEQDKJGU-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.17
Rot. Bonds7

About 3-[cyclopropyl-[6-(N-methylanilino)pyridine-3-carbonyl]amino]-2-methylpropanoic acid

3-[cyclopropyl-[6-(N-methylanilino)pyridine-3-carbonyl]amino]-2-methylpropanoic acid (PubChem CID 120535398) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-[cyclopropyl-[6-(N-methylanilino)pyridine-3-carbonyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[6-(N-methylanilino)pyridine-3-carbonyl]amino]-2-methylpropanoic acid
PubChem CID120535398
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name3-[cyclopropyl-[6-(N-methylanilino)pyridine-3-carbonyl]amino]-2-methylpropanoic acid
SMILESCC(CN(C(=O)c1ccc(N(C)c2ccccc2)nc1)C1CC1)C(=O)O
InChIInChI=1S/C20H23N3O3/c1-14(20(25)26)13-23(17-9-10-17)19(24)15-8-11-18(21-12-15)22(2)16-6-4-3-5-7-16/h3-8,11-12,14,17H,9-10,13H2,1-2H3,(H,25,26)
InChIKeyPFVUIVPEQDKJGU-UHFFFAOYSA-N
XLogP3.17
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[methyl-[[6-(N-methylanilino)-3-pyridinyl]methyl]amino]propanoic acid
CID 122047069
(2R)-3-[cyclopropyl-(4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 95540195
6-(N-methylanilino)pyridine-3-carboxylic acid
CID 16778360
3-[cyclopropyl-[4-(diethylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid
CID 120689451
3-[cyclopropyl-(3,4-dimethylbenzoyl)amino]-2-methylpropanoic acid
CID 82325036
ethyl 2-[[6-(N-methylanilino)pyridine-3-carbonyl]-(2-methylpropyl)amino]acetate
CID 112831032
3-[(2-butan-2-yloxypyridine-4-carbonyl)-cyclopropylamino]-2-methylpropanoic acid
CID 120535265
(2R)-3-[cyclopropyl-(3-methylbenzoyl)amino]-2-methylpropanoic acid
CID 95539938
(2S)-3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid
CID 95540234
4-[methyl-[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
CID 119346931
3-[cyclopropyl(quinoline-2-carbonyl)amino]-2-methylpropanoic acid
CID 120535420
(2R)-3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
CID 119368692

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[6-(N-methylanilino)pyridine-3-carbonyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[cyclopropyl-[6-(N-methylanilino)pyridine-3-carbonyl]amino]-2-methylpropanoic acid (CID 120535398) is 3-[cyclopropyl-[6-(N-methylanilino)pyridine-3-carbonyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[6-(N-methylanilino)pyridine-3-carbonyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[cyclopropyl-[6-(N-methylanilino)pyridine-3-carbonyl]amino]-2-methylpropanoic acid is CC(CN(C(=O)c1ccc(N(C)c2ccccc2)nc1)C1CC1)C(=O)O.
What is the InChIKey of 3-[cyclopropyl-[6-(N-methylanilino)pyridine-3-carbonyl]amino]-2-methylpropanoic acid?
The InChIKey is PFVUIVPEQDKJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14(20(25)26)13-23(17-9-10-17)19(24)15-8-11-18(21-12-15)22(2)16-6-4-3-5-7-16/h3-8,11-12,14,17H,9-10,13H2,1-2H3,(H,25,26).
What are the key properties of 3-[cyclopropyl-[6-(N-methylanilino)pyridine-3-carbonyl]amino]-2-methylpropanoic acid?
3-[cyclopropyl-[6-(N-methylanilino)pyridine-3-carbonyl]amino]-2-methylpropanoic acid has a molecular weight of 353.42 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[6-(N-methylanilino)pyridine-3-carbonyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 120535398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).