6-chloro-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridine-3-carboxamide

C19H20ClN7O — CID 164902866

IUPAC6-chloro-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1cnc(Cl)cc1Nc1cccc2c1N(C)C(C)c1nn(C)nc1-2
InChIInChI=1S/C19H20ClN7O/c1-10-16-17(25-27(4)24-16)11-6-5-7-13(18(11)26(10)3)23-14-8-15(20)22-9-12(14)19(28)21-2/h5-10H,1-4H3,(H,21,28)(H,22,23)/i2D3
InChIKeyKOZLPLNILJEHIZ-BMSJAHLVSA-N
MW400.89 g/mol
LogP3.14
Rot. Bonds4

About 6-chloro-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridine-3-carboxamide

6-chloro-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridine-3-carboxamide (PubChem CID 164902866) has the molecular formula C19H20ClN7O and a molecular weight of 400.89 g/mol. Its IUPAC name is 6-chloro-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridine-3-carboxamide
PubChem CID164902866
Molecular FormulaC19H20ClN7O
Molecular Weight400.89 g/mol
Exact Mass400.16
IUPAC Name6-chloro-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1cnc(Cl)cc1Nc1cccc2c1N(C)C(C)c1nn(C)nc1-2
InChIInChI=1S/C19H20ClN7O/c1-10-16-17(25-27(4)24-16)11-6-5-7-13(18(11)26(10)3)23-14-8-15(20)22-9-12(14)19(28)21-2/h5-10H,1-4H3,(H,21,28)(H,22,23)/i2D3
InChIKeyKOZLPLNILJEHIZ-BMSJAHLVSA-N
XLogP3.14
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)-4-[[(4S)-2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl]amino]pyridine-3-carboxamide
CID 164903027
N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridazine-3-carboxamide
CID 175978064
6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]pyridine-3-carboxamide
CID 164944176
6-(cyclopropanecarbonylamino)-4-[(2,5-dimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 164902968
3-[[2-chloro-5-(trideuteriomethylcarbamoyl)-4-pyridinyl]amino]-2-methoxybenzoic acid
CID 170556958
N-[4-[[(4R)-8-fluoro-2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 175973916
6-chloro-N-methoxy-4-[[(4S)-2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl]amino]pyridine-3-carboxamide
CID 170960782
6-(cyclopropanecarbonylamino)-4-[(7-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzodiazepin-8-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 164903003
6-(cyclopropanecarbonylamino)-4-[[(4S)-2,4,5,9-tetramethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 177044531
6-[[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]amino]-N-(trideuteriomethyl)-4-[[(4R)-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]pyridazine-3-carboxamide
CID 172615725
N-[5-propanoyl-4-[[(4S)-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 170600238
4-[(4,4-dideuterio-2,5-dimethylpyrazolo[4,3-c]quinolin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 175976109

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridine-3-carboxamide (CID 164902866) is 6-chloro-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1cnc(Cl)cc1Nc1cccc2c1N(C)C(C)c1nn(C)nc1-2.
What is the InChIKey of 6-chloro-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridine-3-carboxamide?
The InChIKey is KOZLPLNILJEHIZ-BMSJAHLVSA-N. The full InChI is InChI=1S/C19H20ClN7O/c1-10-16-17(25-27(4)24-16)11-6-5-7-13(18(11)26(10)3)23-14-8-15(20)22-9-12(14)19(28)21-2/h5-10H,1-4H3,(H,21,28)(H,22,23)/i2D3.
What are the key properties of 6-chloro-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridine-3-carboxamide?
6-chloro-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridine-3-carboxamide has a molecular weight of 400.89 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 164902866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).