methyl 2-[[6-(cyclopropylmethoxy)-5-(1H-pyrazol-5-yl)pyridine-2-carbonyl]amino]-2-methylpropanoate

C18H22N4O4 — CID 71087775

IUPACmethyl 2-[[6-(cyclopropylmethoxy)-5-(1H-pyrazol-5-yl)pyridine-2-carbonyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1ccc(-c2ccn[nH]2)c(OCC2CC2)n1
InChIInChI=1S/C18H22N4O4/c1-18(2,17(24)25-3)21-15(23)14-7-6-12(13-8-9-19-22-13)16(20-14)26-10-11-4-5-11/h6-9,11H,4-5,10H2,1-3H3,(H,19,22)(H,21,23)
InChIKeyRWABVHXFCVHWAH-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.94
Rot. Bonds7

About methyl 2-[[6-(cyclopropylmethoxy)-5-(1H-pyrazol-5-yl)pyridine-2-carbonyl]amino]-2-methylpropanoate

methyl 2-[[6-(cyclopropylmethoxy)-5-(1H-pyrazol-5-yl)pyridine-2-carbonyl]amino]-2-methylpropanoate (PubChem CID 71087775) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is methyl 2-[[6-(cyclopropylmethoxy)-5-(1H-pyrazol-5-yl)pyridine-2-carbonyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[6-(cyclopropylmethoxy)-5-(1H-pyrazol-5-yl)pyridine-2-carbonyl]amino]-2-methylpropanoate
PubChem CID71087775
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Namemethyl 2-[[6-(cyclopropylmethoxy)-5-(1H-pyrazol-5-yl)pyridine-2-carbonyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1ccc(-c2ccn[nH]2)c(OCC2CC2)n1
InChIInChI=1S/C18H22N4O4/c1-18(2,17(24)25-3)21-15(23)14-7-6-12(13-8-9-19-22-13)16(20-14)26-10-11-4-5-11/h6-9,11H,4-5,10H2,1-3H3,(H,19,22)(H,21,23)
InChIKeyRWABVHXFCVHWAH-UHFFFAOYSA-N
XLogP1.94
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-(cyclopropylmethoxy)-5-(1H-pyrazol-5-yl)pyridine-2-carbonyl]amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[[6-(cyclopropylmethoxy)-5-(1H-pyrazol-5-yl)pyridine-2-carbonyl]amino]-2-methylpropanoate (CID 71087775) is methyl 2-[[6-(cyclopropylmethoxy)-5-(1H-pyrazol-5-yl)pyridine-2-carbonyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[6-(cyclopropylmethoxy)-5-(1H-pyrazol-5-yl)pyridine-2-carbonyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[[6-(cyclopropylmethoxy)-5-(1H-pyrazol-5-yl)pyridine-2-carbonyl]amino]-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)c1ccc(-c2ccn[nH]2)c(OCC2CC2)n1.
What is the InChIKey of methyl 2-[[6-(cyclopropylmethoxy)-5-(1H-pyrazol-5-yl)pyridine-2-carbonyl]amino]-2-methylpropanoate?
The InChIKey is RWABVHXFCVHWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-18(2,17(24)25-3)21-15(23)14-7-6-12(13-8-9-19-22-13)16(20-14)26-10-11-4-5-11/h6-9,11H,4-5,10H2,1-3H3,(H,19,22)(H,21,23).
What are the key properties of methyl 2-[[6-(cyclopropylmethoxy)-5-(1H-pyrazol-5-yl)pyridine-2-carbonyl]amino]-2-methylpropanoate?
methyl 2-[[6-(cyclopropylmethoxy)-5-(1H-pyrazol-5-yl)pyridine-2-carbonyl]amino]-2-methylpropanoate has a molecular weight of 358.40 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-(cyclopropylmethoxy)-5-(1H-pyrazol-5-yl)pyridine-2-carbonyl]amino]-2-methylpropanoate is sourced from PubChem (CID 71087775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).