N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-6-methylpyridine-3-carboxamide

C22H25N5O2 — CID 91887976

IUPACN-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-6-methylpyridine-3-carboxamide
SMILESCOc1ccc(-c2cc(N3CCCC(NC(=O)c4ccc(C)nc4)C3)n[nH]2)cc1
InChIInChI=1S/C22H25N5O2/c1-15-5-6-17(13-23-15)22(28)24-18-4-3-11-27(14-18)21-12-20(25-26-21)16-7-9-19(29-2)10-8-16/h5-10,12-13,18H,3-4,11,14H2,1-2H3,(H,24,28)(H,25,26)
InChIKeySFOXCSRDCHKHKB-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.19
Rot. Bonds5

About N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-6-methylpyridine-3-carboxamide

N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-6-methylpyridine-3-carboxamide (PubChem CID 91887976) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-6-methylpyridine-3-carboxamide
PubChem CID91887976
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-6-methylpyridine-3-carboxamide
SMILESCOc1ccc(-c2cc(N3CCCC(NC(=O)c4ccc(C)nc4)C3)n[nH]2)cc1
InChIInChI=1S/C22H25N5O2/c1-15-5-6-17(13-23-15)22(28)24-18-4-3-11-27(14-18)21-12-20(25-26-21)16-7-9-19(29-2)10-8-16/h5-10,12-13,18H,3-4,11,14H2,1-2H3,(H,24,28)(H,25,26)
InChIKeySFOXCSRDCHKHKB-UHFFFAOYSA-N
XLogP3.19
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.19
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]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-6-methylpyridine-3-carboxamide (CID 91887976) is N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-6-methylpyridine-3-carboxamide is COc1ccc(-c2cc(N3CCCC(NC(=O)c4ccc(C)nc4)C3)n[nH]2)cc1.
What is the InChIKey of N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-6-methylpyridine-3-carboxamide?
The InChIKey is SFOXCSRDCHKHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-15-5-6-17(13-23-15)22(28)24-18-4-3-11-27(14-18)21-12-20(25-26-21)16-7-9-19(29-2)10-8-16/h5-10,12-13,18H,3-4,11,14H2,1-2H3,(H,24,28)(H,25,26).
What are the key properties of N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-6-methylpyridine-3-carboxamide?
N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.19, 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]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 91887976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).