methyl 2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]-2-pyridin-2-ylacetate

C18H24N4O3 — CID 126807126

IUPACmethyl 2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]-2-pyridin-2-ylacetate
SMILESCCC(CC)n1ncc(C(=O)NC(C(=O)OC)c2ccccn2)c1C
InChIInChI=1S/C18H24N4O3/c1-5-13(6-2)22-12(3)14(11-20-22)17(23)21-16(18(24)25-4)15-9-7-8-10-19-15/h7-11,13,16H,5-6H2,1-4H3,(H,21,23)
InChIKeyZCMJPFNOWOBEFW-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.59
Rot. Bonds7

About methyl 2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]-2-pyridin-2-ylacetate

methyl 2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]-2-pyridin-2-ylacetate (PubChem CID 126807126) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is methyl 2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]-2-pyridin-2-ylacetate.

Molecular Properties

Compound Namemethyl 2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]-2-pyridin-2-ylacetate
PubChem CID126807126
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Namemethyl 2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]-2-pyridin-2-ylacetate
SMILESCCC(CC)n1ncc(C(=O)NC(C(=O)OC)c2ccccn2)c1C
InChIInChI=1S/C18H24N4O3/c1-5-13(6-2)22-12(3)14(11-20-22)17(23)21-16(18(24)25-4)15-9-7-8-10-19-15/h7-11,13,16H,5-6H2,1-4H3,(H,21,23)
InChIKeyZCMJPFNOWOBEFW-UHFFFAOYSA-N
XLogP2.59
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]-2-pyridin-2-ylacetate with MolForge

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Related Compounds

N-(2-hydroxy-1-phenylethyl)-5-methyl-1-pentan-3-ylpyrazole-4-carboxamide
CID 110001403
2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 120523692
ethyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-2-phenylacetate
CID 108805316
3-methyl-2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid
CID 120520920
N-butan-2-yl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793345
3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 120522803
methyl 2-pyridin-2-yl-2-[(2,4,6-trifluorobenzoyl)amino]acetate
CID 71987187
1-[(2R)-butan-2-yl]-6-methyl-N-[(1S)-1-pyridin-2-ylethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 95156417
5-methyl-N-(3-methylimidazo[1,2-a]pyridin-2-yl)-1-pentan-3-ylpyrazole-4-carboxamide
CID 122141358
1-(5-methyl-1-pentan-3-ylpyrazol-4-yl)ethanone
CID 61271115
ethyl 5-methyl-1-[4-(1-pyridin-2-ylethylcarbamoyl)phenyl]pyrazole-4-carboxylate
CID 55649826
1-(4-fluorophenyl)-5-methyl-N-(1-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 46576724

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]-2-pyridin-2-ylacetate?
The IUPAC name of methyl 2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]-2-pyridin-2-ylacetate (CID 126807126) is methyl 2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]-2-pyridin-2-ylacetate.
What is the SMILES notation for methyl 2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]-2-pyridin-2-ylacetate?
The canonical SMILES for methyl 2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]-2-pyridin-2-ylacetate is CCC(CC)n1ncc(C(=O)NC(C(=O)OC)c2ccccn2)c1C.
What is the InChIKey of methyl 2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]-2-pyridin-2-ylacetate?
The InChIKey is ZCMJPFNOWOBEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-5-13(6-2)22-12(3)14(11-20-22)17(23)21-16(18(24)25-4)15-9-7-8-10-19-15/h7-11,13,16H,5-6H2,1-4H3,(H,21,23).
What are the key properties of methyl 2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]-2-pyridin-2-ylacetate?
methyl 2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]-2-pyridin-2-ylacetate has a molecular weight of 344.42 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]-2-pyridin-2-ylacetate is sourced from PubChem (CID 126807126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).