3-[[2-chloro-5-(trideuteriomethylcarbamoyl)-4-pyridinyl]amino]-2-methoxybenzoic acid

C15H14ClN3O4 — CID 170556958

IUPAC3-[[2-chloro-5-(trideuteriomethylcarbamoyl)-4-pyridinyl]amino]-2-methoxybenzoic acid
SMILES[2H]C([2H])([2H])NC(=O)c1cnc(Cl)cc1Nc1cccc(C(=O)O)c1OC
InChIInChI=1S/C15H14ClN3O4/c1-17-14(20)9-7-18-12(16)6-11(9)19-10-5-3-4-8(15(21)22)13(10)23-2/h3-7H,1-2H3,(H,17,20)(H,18,19)(H,21,22)/i1D3
InChIKeyJCDVUCSAMRAMMH-FIBGUPNXSA-N
MW338.77 g/mol
LogP2.55
Rot. Bonds6

About 3-[[2-chloro-5-(trideuteriomethylcarbamoyl)-4-pyridinyl]amino]-2-methoxybenzoic acid

3-[[2-chloro-5-(trideuteriomethylcarbamoyl)-4-pyridinyl]amino]-2-methoxybenzoic acid (PubChem CID 170556958) has the molecular formula C15H14ClN3O4 and a molecular weight of 338.77 g/mol. Its IUPAC name is 3-[[2-chloro-5-(trideuteriomethylcarbamoyl)-4-pyridinyl]amino]-2-methoxybenzoic acid.

Molecular Properties

Compound Name3-[[2-chloro-5-(trideuteriomethylcarbamoyl)-4-pyridinyl]amino]-2-methoxybenzoic acid
PubChem CID170556958
Molecular FormulaC15H14ClN3O4
Molecular Weight338.77 g/mol
Exact Mass338.09
IUPAC Name3-[[2-chloro-5-(trideuteriomethylcarbamoyl)-4-pyridinyl]amino]-2-methoxybenzoic acid
SMILES[2H]C([2H])([2H])NC(=O)c1cnc(Cl)cc1Nc1cccc(C(=O)O)c1OC
InChIInChI=1S/C15H14ClN3O4/c1-17-14(20)9-7-18-12(16)6-11(9)19-10-5-3-4-8(15(21)22)13(10)23-2/h3-7H,1-2H3,(H,17,20)(H,18,19)(H,21,22)/i1D3
InChIKeyJCDVUCSAMRAMMH-FIBGUPNXSA-N
XLogP2.55
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.77
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide;ethane
CID 144625234
6-chloro-4-[(2,3-dimethoxybenzoyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 156880958
tert-butyl N-[[3-[[2-chloro-5-(methylcarbamoyl)-4-pyridinyl]amino]-2-methoxybenzoyl]amino]carbamate
CID 90135042
6-chloro-4-[3-[1-(1-ethoxyethyl)pyrazol-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridine-3-carboxamide;4,6-dichloro-N-(trideuteriomethyl)pyridine-3-carboxamide;3-[1-(1-ethoxyethyl)pyrazol-3-yl]-2-methoxyaniline;methane
CID 162213612
6-chloro-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridine-3-carboxamide
CID 164902866
6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridine-3-carbohydrazide
CID 134439018
1-[6-chloro-4-(2-methoxy-3-pyrazin-2-ylanilino)-3-pyridinyl]ethanone
CID 170318107
6-chloro-N-ethoxy-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]pyridine-3-carboxamide
CID 163387350
[6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-pyridinyl]-cyclopentylmethanone
CID 162355190
6-chloro-4-[[1-methyl-4-oxo-5-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-3-yl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 171436807
2-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyrimidine-5-carboxamide
CID 171437014
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[3-(phenylmethoxymethyl)-1,2,4-oxadiazol-5-yl]anilino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 166584982

Frequently Asked Questions

What is the IUPAC name of 3-[[2-chloro-5-(trideuteriomethylcarbamoyl)-4-pyridinyl]amino]-2-methoxybenzoic acid?
The IUPAC name of 3-[[2-chloro-5-(trideuteriomethylcarbamoyl)-4-pyridinyl]amino]-2-methoxybenzoic acid (CID 170556958) is 3-[[2-chloro-5-(trideuteriomethylcarbamoyl)-4-pyridinyl]amino]-2-methoxybenzoic acid.
What is the SMILES notation for 3-[[2-chloro-5-(trideuteriomethylcarbamoyl)-4-pyridinyl]amino]-2-methoxybenzoic acid?
The canonical SMILES for 3-[[2-chloro-5-(trideuteriomethylcarbamoyl)-4-pyridinyl]amino]-2-methoxybenzoic acid is [2H]C([2H])([2H])NC(=O)c1cnc(Cl)cc1Nc1cccc(C(=O)O)c1OC.
What is the InChIKey of 3-[[2-chloro-5-(trideuteriomethylcarbamoyl)-4-pyridinyl]amino]-2-methoxybenzoic acid?
The InChIKey is JCDVUCSAMRAMMH-FIBGUPNXSA-N. The full InChI is InChI=1S/C15H14ClN3O4/c1-17-14(20)9-7-18-12(16)6-11(9)19-10-5-3-4-8(15(21)22)13(10)23-2/h3-7H,1-2H3,(H,17,20)(H,18,19)(H,21,22)/i1D3.
What are the key properties of 3-[[2-chloro-5-(trideuteriomethylcarbamoyl)-4-pyridinyl]amino]-2-methoxybenzoic acid?
3-[[2-chloro-5-(trideuteriomethylcarbamoyl)-4-pyridinyl]amino]-2-methoxybenzoic acid has a molecular weight of 338.77 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-chloro-5-(trideuteriomethylcarbamoyl)-4-pyridinyl]amino]-2-methoxybenzoic acid is sourced from PubChem (CID 170556958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).