6-methyl-5-[[6-methyl-5-[(E)-3-methyl-2-(1-methylpyrazol-4-yl)but-1-enyl]pyridine-3-carbonyl]amino]pyridine-3-carboxylic acid

C23H25N5O3 — CID 170635142

IUPAC6-methyl-5-[[6-methyl-5-[(E)-3-methyl-2-(1-methylpyrazol-4-yl)but-1-enyl]pyridine-3-carbonyl]amino]pyridine-3-carboxylic acid
SMILESCc1ncc(C(=O)Nc2cc(C(=O)O)cnc2C)cc1/C=C(/c1cnn(C)c1)C(C)C
InChIInChI=1S/C23H25N5O3/c1-13(2)20(19-11-26-28(5)12-19)7-16-6-17(9-24-14(16)3)22(29)27-21-8-18(23(30)31)10-25-15(21)4/h6-13H,1-5H3,(H,27,29)(H,30,31)/b20-7+
InChIKeyGQTUMKQMLNXHKT-IFRROFPPSA-N
MW419.49 g/mol
LogP3.97
Rot. Bonds6

About 6-methyl-5-[[6-methyl-5-[(E)-3-methyl-2-(1-methylpyrazol-4-yl)but-1-enyl]pyridine-3-carbonyl]amino]pyridine-3-carboxylic acid

6-methyl-5-[[6-methyl-5-[(E)-3-methyl-2-(1-methylpyrazol-4-yl)but-1-enyl]pyridine-3-carbonyl]amino]pyridine-3-carboxylic acid (PubChem CID 170635142) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 6-methyl-5-[[6-methyl-5-[(E)-3-methyl-2-(1-methylpyrazol-4-yl)but-1-enyl]pyridine-3-carbonyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-5-[[6-methyl-5-[(E)-3-methyl-2-(1-methylpyrazol-4-yl)but-1-enyl]pyridine-3-carbonyl]amino]pyridine-3-carboxylic acid
PubChem CID170635142
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name6-methyl-5-[[6-methyl-5-[(E)-3-methyl-2-(1-methylpyrazol-4-yl)but-1-enyl]pyridine-3-carbonyl]amino]pyridine-3-carboxylic acid
SMILESCc1ncc(C(=O)Nc2cc(C(=O)O)cnc2C)cc1/C=C(/c1cnn(C)c1)C(C)C
InChIInChI=1S/C23H25N5O3/c1-13(2)20(19-11-26-28(5)12-19)7-16-6-17(9-24-14(16)3)22(29)27-21-8-18(23(30)31)10-25-15(21)4/h6-13H,1-5H3,(H,27,29)(H,30,31)/b20-7+
InChIKeyGQTUMKQMLNXHKT-IFRROFPPSA-N
XLogP3.97
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-fluoro-5-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]-6-methyl-5-[(E)-2-(1-methylpyrazol-4-yl)but-1-enyl]pyridine-3-carboxamide
CID 170634682
6-methyl-N-[2-methyl-5-(2-piperidin-1-ylethylcarbamoyl)phenyl]-5-[(E)-2-(1-methylpyrazol-4-yl)pent-1-enyl]pyridine-3-carboxamide
CID 170634753
N-[5-[[2-(ethylamino)acetyl]amino]-2-methyl-3-pyridinyl]-6-methyl-5-[(E)-3-methyl-2-[3-(2-oxoethyl)phenyl]but-1-enyl]pyridine-3-carboxamide;N-methylmethanamine
CID 170635053
5-[(1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 63153723
1-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrazole-4-carboxamide
CID 86991547
N-[5-[[2-(2,2-dimethylmorpholin-4-yl)acetyl]amino]-2-fluoro-3-pyridinyl]-6-methyl-5-[(E)-2-(1-methylpyrazol-4-yl)pent-1-enyl]pyridine-3-carboxamide
CID 170634820
2-[2-[(1-methylpyrazole-4-carbonyl)amino]phenyl]acetic acid
CID 62535911
6-methyl-5-[[2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]pyridine-3-carboxylic acid
CID 164547893
N-[5-[[2-(6-azaspiro[2.5]octan-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 170635105
N-[2-methyl-5-(methylcarbamoyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547259
N-(2-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide
CID 82757494
(2S)-3-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]butanoic acid
CID 28742450

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[[6-methyl-5-[(E)-3-methyl-2-(1-methylpyrazol-4-yl)but-1-enyl]pyridine-3-carbonyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-5-[[6-methyl-5-[(E)-3-methyl-2-(1-methylpyrazol-4-yl)but-1-enyl]pyridine-3-carbonyl]amino]pyridine-3-carboxylic acid (CID 170635142) is 6-methyl-5-[[6-methyl-5-[(E)-3-methyl-2-(1-methylpyrazol-4-yl)but-1-enyl]pyridine-3-carbonyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-5-[[6-methyl-5-[(E)-3-methyl-2-(1-methylpyrazol-4-yl)but-1-enyl]pyridine-3-carbonyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-5-[[6-methyl-5-[(E)-3-methyl-2-(1-methylpyrazol-4-yl)but-1-enyl]pyridine-3-carbonyl]amino]pyridine-3-carboxylic acid is Cc1ncc(C(=O)Nc2cc(C(=O)O)cnc2C)cc1/C=C(/c1cnn(C)c1)C(C)C.
What is the InChIKey of 6-methyl-5-[[6-methyl-5-[(E)-3-methyl-2-(1-methylpyrazol-4-yl)but-1-enyl]pyridine-3-carbonyl]amino]pyridine-3-carboxylic acid?
The InChIKey is GQTUMKQMLNXHKT-IFRROFPPSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-13(2)20(19-11-26-28(5)12-19)7-16-6-17(9-24-14(16)3)22(29)27-21-8-18(23(30)31)10-25-15(21)4/h6-13H,1-5H3,(H,27,29)(H,30,31)/b20-7+.
What are the key properties of 6-methyl-5-[[6-methyl-5-[(E)-3-methyl-2-(1-methylpyrazol-4-yl)but-1-enyl]pyridine-3-carbonyl]amino]pyridine-3-carboxylic acid?
6-methyl-5-[[6-methyl-5-[(E)-3-methyl-2-(1-methylpyrazol-4-yl)but-1-enyl]pyridine-3-carbonyl]amino]pyridine-3-carboxylic acid has a molecular weight of 419.49 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[[6-methyl-5-[(E)-3-methyl-2-(1-methylpyrazol-4-yl)but-1-enyl]pyridine-3-carbonyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 170635142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).