N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-4-carboxamide

C21H23N5O2 — CID 91904834

IUPACN-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-4-carboxamide
SMILESCOc1ccc(-c2cc(N3CCCC(NC(=O)c4ccncc4)C3)n[nH]2)cc1
InChIInChI=1S/C21H23N5O2/c1-28-18-6-4-15(5-7-18)19-13-20(25-24-19)26-12-2-3-17(14-26)23-21(27)16-8-10-22-11-9-16/h4-11,13,17H,2-3,12,14H2,1H3,(H,23,27)(H,24,25)
InChIKeyPCQZGVJUUMYQBJ-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.88
Rot. Bonds5

About N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-4-carboxamide

N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-4-carboxamide (PubChem CID 91904834) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-4-carboxamide
PubChem CID91904834
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-4-carboxamide
SMILESCOc1ccc(-c2cc(N3CCCC(NC(=O)c4ccncc4)C3)n[nH]2)cc1
InChIInChI=1S/C21H23N5O2/c1-28-18-6-4-15(5-7-18)19-13-20(25-24-19)26-12-2-3-17(14-26)23-21(27)16-8-10-22-11-9-16/h4-11,13,17H,2-3,12,14H2,1H3,(H,23,27)(H,24,25)
InChIKeyPCQZGVJUUMYQBJ-UHFFFAOYSA-N
XLogP2.88
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-4-carboxamide (CID 91904834) is N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-4-carboxamide is COc1ccc(-c2cc(N3CCCC(NC(=O)c4ccncc4)C3)n[nH]2)cc1.
What is the InChIKey of N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-4-carboxamide?
The InChIKey is PCQZGVJUUMYQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-28-18-6-4-15(5-7-18)19-13-20(25-24-19)26-12-2-3-17(14-26)23-21(27)16-8-10-22-11-9-16/h4-11,13,17H,2-3,12,14H2,1H3,(H,23,27)(H,24,25).
What are the key properties of N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-4-carboxamide?
N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-4-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 91904834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).