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

C21H22FN5O — CID 91904827

IUPACN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2CCCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)cn1
InChIInChI=1S/C21H22FN5O/c1-14-4-5-16(12-23-14)21(28)24-18-3-2-10-27(13-18)20-11-19(25-26-20)15-6-8-17(22)9-7-15/h4-9,11-12,18H,2-3,10,13H2,1H3,(H,24,28)(H,25,26)
InChIKeyIHDDSADMDNHFGH-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.32
Rot. Bonds4

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

N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-6-methylpyridine-3-carboxamide (PubChem CID 91904827) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-6-methylpyridine-3-carboxamide
PubChem CID91904827
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC NameN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2CCCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)cn1
InChIInChI=1S/C21H22FN5O/c1-14-4-5-16(12-23-14)21(28)24-18-3-2-10-27(13-18)20-11-19(25-26-20)15-6-8-17(22)9-7-15/h4-9,11-12,18H,2-3,10,13H2,1H3,(H,24,28)(H,25,26)
InChIKeyIHDDSADMDNHFGH-UHFFFAOYSA-N
XLogP3.32
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-6-methylpyridine-3-carboxamide (CID 91904827) is N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NC2CCCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)cn1.
What is the InChIKey of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-6-methylpyridine-3-carboxamide?
The InChIKey is IHDDSADMDNHFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c1-14-4-5-16(12-23-14)21(28)24-18-3-2-10-27(13-18)20-11-19(25-26-20)15-6-8-17(22)9-7-15/h4-9,11-12,18H,2-3,10,13H2,1H3,(H,24,28)(H,25,26).
What are the key properties of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-6-methylpyridine-3-carboxamide?
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 91904827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).