methyl 6-[(1-benzylpyrazole-4-carbonyl)amino]pyridine-3-carboxylate

C18H16N4O3 — CID 156583770

IUPACmethyl 6-[(1-benzylpyrazole-4-carbonyl)amino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)c2cnn(Cc3ccccc3)c2)nc1
InChIInChI=1S/C18H16N4O3/c1-25-18(24)14-7-8-16(19-9-14)21-17(23)15-10-20-22(12-15)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,19,21,23)
InChIKeyPREFSNRAHWYXLH-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.37
Rot. Bonds5

About methyl 6-[(1-benzylpyrazole-4-carbonyl)amino]pyridine-3-carboxylate

methyl 6-[(1-benzylpyrazole-4-carbonyl)amino]pyridine-3-carboxylate (PubChem CID 156583770) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is methyl 6-[(1-benzylpyrazole-4-carbonyl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(1-benzylpyrazole-4-carbonyl)amino]pyridine-3-carboxylate
PubChem CID156583770
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Namemethyl 6-[(1-benzylpyrazole-4-carbonyl)amino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)c2cnn(Cc3ccccc3)c2)nc1
InChIInChI=1S/C18H16N4O3/c1-25-18(24)14-7-8-16(19-9-14)21-17(23)15-10-20-22(12-15)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,19,21,23)
InChIKeyPREFSNRAHWYXLH-UHFFFAOYSA-N
XLogP2.37
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;methyl 6-benzamidopyridine-3-carboxylate
CID 91195390
methyl 4-[[4-(ethylcarbamoyl)pyrazol-1-yl]methyl]benzoate
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1-benzylpyrazole-4-carbohydrazide
CID 83386286
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
1-benzyl-N-(5-chloro-2-methoxyphenyl)pyrazole-4-carboxamide
CID 29202321
1-benzyl-N-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboxamide
CID 86996428
1-benzyl-N-(4-fluoro-2-methoxyphenyl)pyrazole-4-carboxamide
CID 32610344
methyl 1-[(4-bromophenyl)methyl]pyrazole-4-carboxylate
CID 154827636
methyl 6-[(2-methylbenzoyl)amino]pyridine-3-carboxylate
CID 54003775
methyl (2S)-2-[(1-benzylpyrazole-4-carbonyl)amino]-3-phenylpropanoate
CID 27228320
1-benzyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 119501619

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(1-benzylpyrazole-4-carbonyl)amino]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(1-benzylpyrazole-4-carbonyl)amino]pyridine-3-carboxylate (CID 156583770) is methyl 6-[(1-benzylpyrazole-4-carbonyl)amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(1-benzylpyrazole-4-carbonyl)amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(1-benzylpyrazole-4-carbonyl)amino]pyridine-3-carboxylate is COC(=O)c1ccc(NC(=O)c2cnn(Cc3ccccc3)c2)nc1.
What is the InChIKey of methyl 6-[(1-benzylpyrazole-4-carbonyl)amino]pyridine-3-carboxylate?
The InChIKey is PREFSNRAHWYXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-25-18(24)14-7-8-16(19-9-14)21-17(23)15-10-20-22(12-15)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,19,21,23).
What are the key properties of methyl 6-[(1-benzylpyrazole-4-carbonyl)amino]pyridine-3-carboxylate?
methyl 6-[(1-benzylpyrazole-4-carbonyl)amino]pyridine-3-carboxylate has a molecular weight of 336.35 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(1-benzylpyrazole-4-carbonyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 156583770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).