N-(6-methoxy-3-pyridinyl)-4-[(E)-2-[5-(piperidin-1-ylmethyl)-3-pyridinyl]ethenyl]-1H-pyrazole-5-carboxamide

C23H26N6O2 — CID 154998796

IUPACN-(6-methoxy-3-pyridinyl)-4-[(E)-2-[5-(piperidin-1-ylmethyl)-3-pyridinyl]ethenyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2[nH]ncc2/C=C/c2cncc(CN3CCCCC3)c2)cn1
InChIInChI=1S/C23H26N6O2/c1-31-21-8-7-20(15-25-21)27-23(30)22-19(14-26-28-22)6-5-17-11-18(13-24-12-17)16-29-9-3-2-4-10-29/h5-8,11-15H,2-4,9-10,16H2,1H3,(H,26,28)(H,27,30)/b6-5+
InChIKeyCORSYGZWQRVHOS-AATRIKPKSA-N
MW418.50 g/mol
LogP3.62
Rot. Bonds7

About N-(6-methoxy-3-pyridinyl)-4-[(E)-2-[5-(piperidin-1-ylmethyl)-3-pyridinyl]ethenyl]-1H-pyrazole-5-carboxamide

N-(6-methoxy-3-pyridinyl)-4-[(E)-2-[5-(piperidin-1-ylmethyl)-3-pyridinyl]ethenyl]-1H-pyrazole-5-carboxamide (PubChem CID 154998796) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-4-[(E)-2-[5-(piperidin-1-ylmethyl)-3-pyridinyl]ethenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-4-[(E)-2-[5-(piperidin-1-ylmethyl)-3-pyridinyl]ethenyl]-1H-pyrazole-5-carboxamide
PubChem CID154998796
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC NameN-(6-methoxy-3-pyridinyl)-4-[(E)-2-[5-(piperidin-1-ylmethyl)-3-pyridinyl]ethenyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2[nH]ncc2/C=C/c2cncc(CN3CCCCC3)c2)cn1
InChIInChI=1S/C23H26N6O2/c1-31-21-8-7-20(15-25-21)27-23(30)22-19(14-26-28-22)6-5-17-11-18(13-24-12-17)16-29-9-3-2-4-10-29/h5-8,11-15H,2-4,9-10,16H2,1H3,(H,26,28)(H,27,30)/b6-5+
InChIKeyCORSYGZWQRVHOS-AATRIKPKSA-N
XLogP3.62
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Teplinovivint
CID 89451003
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 118381715
4-[2-(5-piperidin-4-yloxy-3-pyridinyl)ethynyl]-N-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 154654392
N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazole-5-carboxamide
CID 154654432
1-(4-methoxyphenyl)-5-N-phenyl-3-N-(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide
CID 10938858
1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridinyl)-4-piperidinecarboxamide
CID 24792988
N-ethyl-N-(6-methoxy-3-pyridinyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 46883829
N-ethyl-N-(6-methoxy-3-pyridinyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 46883830
4-[[2,6-difluoro-3-(6-methoxy-3-pyridinyl)benzoyl]amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 162673767
N-(6-methoxy-3-pyridinyl)-5-[5-(1-pyrrolidinylmethyl)-3-pyridinyl]-1H-Indazole-3-carboxamide
CID 89450478
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-N-(6-methoxypyridin-3-yl)-1H-indazole-3-carboxamide
CID 89451225
N-[5-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide
CID 154654067

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-4-[(E)-2-[5-(piperidin-1-ylmethyl)-3-pyridinyl]ethenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-4-[(E)-2-[5-(piperidin-1-ylmethyl)-3-pyridinyl]ethenyl]-1H-pyrazole-5-carboxamide (CID 154998796) is N-(6-methoxy-3-pyridinyl)-4-[(E)-2-[5-(piperidin-1-ylmethyl)-3-pyridinyl]ethenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-4-[(E)-2-[5-(piperidin-1-ylmethyl)-3-pyridinyl]ethenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-4-[(E)-2-[5-(piperidin-1-ylmethyl)-3-pyridinyl]ethenyl]-1H-pyrazole-5-carboxamide is COc1ccc(NC(=O)c2[nH]ncc2/C=C/c2cncc(CN3CCCCC3)c2)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-4-[(E)-2-[5-(piperidin-1-ylmethyl)-3-pyridinyl]ethenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is CORSYGZWQRVHOS-AATRIKPKSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-31-21-8-7-20(15-25-21)27-23(30)22-19(14-26-28-22)6-5-17-11-18(13-24-12-17)16-29-9-3-2-4-10-29/h5-8,11-15H,2-4,9-10,16H2,1H3,(H,26,28)(H,27,30)/b6-5+.
What are the key properties of N-(6-methoxy-3-pyridinyl)-4-[(E)-2-[5-(piperidin-1-ylmethyl)-3-pyridinyl]ethenyl]-1H-pyrazole-5-carboxamide?
N-(6-methoxy-3-pyridinyl)-4-[(E)-2-[5-(piperidin-1-ylmethyl)-3-pyridinyl]ethenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-4-[(E)-2-[5-(piperidin-1-ylmethyl)-3-pyridinyl]ethenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 154998796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).