2-methoxy-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide;N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-methylpyridine-3-carboxamide

C38H40N8O5 — CID 69094384

IUPAC2-methoxy-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide;N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-methylpyridine-3-carboxamide
SMILESCOc1cccc(CCc2cc(NC(=O)c3ccc(C)nc3)n[nH]2)c1.COc1cccc(CCc2cc(NC(=O)c3cccnc3OC)n[nH]2)c1
InChIInChI=1S/C19H20N4O3.C19H20N4O2/c1-25-15-6-3-5-13(11-15)8-9-14-12-17(23-22-14)21-18(24)16-7-4-10-20-19(16)26-2;1-13-6-8-15(12-20-13)19(24)21-18-11-16(22-23-18)9-7-14-4-3-5-17(10-14)25-2/h3-7,10-12H,8-9H2,1-2H3,(H2,21,22,23,24);3-6,8,10-12H,7,9H2,1-2H3,(H2,21,22,23,24)
InChIKeyGGRDPUNEVJWYFB-UHFFFAOYSA-N
MW688.79 g/mol
LogP6.02
Rot. Bonds13

About 2-methoxy-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide;N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-methylpyridine-3-carboxamide

2-methoxy-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide;N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-methylpyridine-3-carboxamide (PubChem CID 69094384) has the molecular formula C38H40N8O5 and a molecular weight of 688.79 g/mol. Its IUPAC name is 2-methoxy-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide;N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide;N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-methylpyridine-3-carboxamide
PubChem CID69094384
Molecular FormulaC38H40N8O5
Molecular Weight688.79 g/mol
Exact Mass688.31
IUPAC Name2-methoxy-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide;N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-methylpyridine-3-carboxamide
SMILESCOc1cccc(CCc2cc(NC(=O)c3ccc(C)nc3)n[nH]2)c1.COc1cccc(CCc2cc(NC(=O)c3cccnc3OC)n[nH]2)c1
InChIInChI=1S/C19H20N4O3.C19H20N4O2/c1-25-15-6-3-5-13(11-15)8-9-14-12-17(23-22-14)21-18(24)16-7-4-10-20-19(16)26-2;1-13-6-8-15(12-20-13)19(24)21-18-11-16(22-23-18)9-7-14-4-3-5-17(10-14)25-2/h3-7,10-12H,8-9H2,1-2H3,(H2,21,22,23,24);3-6,8,10-12H,7,9H2,1-2H3,(H2,21,22,23,24)
InChIKeyGGRDPUNEVJWYFB-UHFFFAOYSA-N
XLogP6.02
TPSA169.03 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.79
LogP ≤ 56.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide;N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide;N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-methylpyridine-3-carboxamide (CID 69094384) is 2-methoxy-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide;N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide;N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide;N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-methylpyridine-3-carboxamide is COc1cccc(CCc2cc(NC(=O)c3ccc(C)nc3)n[nH]2)c1.COc1cccc(CCc2cc(NC(=O)c3cccnc3OC)n[nH]2)c1.
What is the InChIKey of 2-methoxy-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide;N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-methylpyridine-3-carboxamide?
The InChIKey is GGRDPUNEVJWYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3.C19H20N4O2/c1-25-15-6-3-5-13(11-15)8-9-14-12-17(23-22-14)21-18(24)16-7-4-10-20-19(16)26-2;1-13-6-8-15(12-20-13)19(24)21-18-11-16(22-23-18)9-7-14-4-3-5-17(10-14)25-2/h3-7,10-12H,8-9H2,1-2H3,(H2,21,22,23,24);3-6,8,10-12H,7,9H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 2-methoxy-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide;N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-methylpyridine-3-carboxamide?
2-methoxy-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide;N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 688.79 g/mol, XLogP of 6.02, 13 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide;N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 69094384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).