6-[4-(2-methoxy-2,3-dihydropyridin-4-yl)-3-oxo-1H-pyrazol-2-yl]-N-[1-(2-methoxyethyl)cyclopropyl]pyridine-3-carboxamide

C21H25N5O4 — CID 135129940

IUPAC6-[4-(2-methoxy-2,3-dihydropyridin-4-yl)-3-oxo-1H-pyrazol-2-yl]-N-[1-(2-methoxyethyl)cyclopropyl]pyridine-3-carboxamide
SMILESCOCCC1(NC(=O)c2ccc(-n3[nH]cc(C4=CC=NC(OC)C4)c3=O)nc2)CC1
InChIInChI=1S/C21H25N5O4/c1-29-10-8-21(6-7-21)25-19(27)15-3-4-17(23-12-15)26-20(28)16(13-24-26)14-5-9-22-18(11-14)30-2/h3-5,9,12-13,18,24H,6-8,10-11H2,1-2H3,(H,25,27)
InChIKeyUUVBJMRQVWYQFD-UHFFFAOYSA-N
MW411.46 g/mol
LogP1.69
Rot. Bonds8

About 6-[4-(2-methoxy-2,3-dihydropyridin-4-yl)-3-oxo-1H-pyrazol-2-yl]-N-[1-(2-methoxyethyl)cyclopropyl]pyridine-3-carboxamide

6-[4-(2-methoxy-2,3-dihydropyridin-4-yl)-3-oxo-1H-pyrazol-2-yl]-N-[1-(2-methoxyethyl)cyclopropyl]pyridine-3-carboxamide (PubChem CID 135129940) has the molecular formula C21H25N5O4 and a molecular weight of 411.46 g/mol. Its IUPAC name is 6-[4-(2-methoxy-2,3-dihydropyridin-4-yl)-3-oxo-1H-pyrazol-2-yl]-N-[1-(2-methoxyethyl)cyclopropyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(2-methoxy-2,3-dihydropyridin-4-yl)-3-oxo-1H-pyrazol-2-yl]-N-[1-(2-methoxyethyl)cyclopropyl]pyridine-3-carboxamide
PubChem CID135129940
Molecular FormulaC21H25N5O4
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC Name6-[4-(2-methoxy-2,3-dihydropyridin-4-yl)-3-oxo-1H-pyrazol-2-yl]-N-[1-(2-methoxyethyl)cyclopropyl]pyridine-3-carboxamide
SMILESCOCCC1(NC(=O)c2ccc(-n3[nH]cc(C4=CC=NC(OC)C4)c3=O)nc2)CC1
InChIInChI=1S/C21H25N5O4/c1-29-10-8-21(6-7-21)25-19(27)15-3-4-17(23-12-15)26-20(28)16(13-24-26)14-5-9-22-18(11-14)30-2/h3-5,9,12-13,18,24H,6-8,10-11H2,1-2H3,(H,25,27)
InChIKeyUUVBJMRQVWYQFD-UHFFFAOYSA-N
XLogP1.69
TPSA110.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methoxy-2,3-dihydropyridin-4-yl)-3-oxo-1H-pyrazol-2-yl]-N-[1-(2-methoxyethyl)cyclopropyl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-(2-methoxy-2,3-dihydropyridin-4-yl)-3-oxo-1H-pyrazol-2-yl]-N-[1-(2-methoxyethyl)cyclopropyl]pyridine-3-carboxamide (CID 135129940) is 6-[4-(2-methoxy-2,3-dihydropyridin-4-yl)-3-oxo-1H-pyrazol-2-yl]-N-[1-(2-methoxyethyl)cyclopropyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(2-methoxy-2,3-dihydropyridin-4-yl)-3-oxo-1H-pyrazol-2-yl]-N-[1-(2-methoxyethyl)cyclopropyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(2-methoxy-2,3-dihydropyridin-4-yl)-3-oxo-1H-pyrazol-2-yl]-N-[1-(2-methoxyethyl)cyclopropyl]pyridine-3-carboxamide is COCCC1(NC(=O)c2ccc(-n3[nH]cc(C4=CC=NC(OC)C4)c3=O)nc2)CC1.
What is the InChIKey of 6-[4-(2-methoxy-2,3-dihydropyridin-4-yl)-3-oxo-1H-pyrazol-2-yl]-N-[1-(2-methoxyethyl)cyclopropyl]pyridine-3-carboxamide?
The InChIKey is UUVBJMRQVWYQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4/c1-29-10-8-21(6-7-21)25-19(27)15-3-4-17(23-12-15)26-20(28)16(13-24-26)14-5-9-22-18(11-14)30-2/h3-5,9,12-13,18,24H,6-8,10-11H2,1-2H3,(H,25,27).
What are the key properties of 6-[4-(2-methoxy-2,3-dihydropyridin-4-yl)-3-oxo-1H-pyrazol-2-yl]-N-[1-(2-methoxyethyl)cyclopropyl]pyridine-3-carboxamide?
6-[4-(2-methoxy-2,3-dihydropyridin-4-yl)-3-oxo-1H-pyrazol-2-yl]-N-[1-(2-methoxyethyl)cyclopropyl]pyridine-3-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methoxy-2,3-dihydropyridin-4-yl)-3-oxo-1H-pyrazol-2-yl]-N-[1-(2-methoxyethyl)cyclopropyl]pyridine-3-carboxamide is sourced from PubChem (CID 135129940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).