4-methyl-N-[1-(1-pyridin-4-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide

C22H23N5O2 — CID 154788476

IUPAC4-methyl-N-[1-(1-pyridin-4-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CCN(C(=O)c3cnn(-c4ccncc4)c3)CC2)cc1
InChIInChI=1S/C22H23N5O2/c1-16-2-4-17(5-3-16)21(28)25-19-8-12-26(13-9-19)22(29)18-14-24-27(15-18)20-6-10-23-11-7-20/h2-7,10-11,14-15,19H,8-9,12-13H2,1H3,(H,25,28)
InChIKeyDNLLZOHTARFZDM-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.61
Rot. Bonds4

About 4-methyl-N-[1-(1-pyridin-4-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide

4-methyl-N-[1-(1-pyridin-4-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide (PubChem CID 154788476) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-methyl-N-[1-(1-pyridin-4-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[1-(1-pyridin-4-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
PubChem CID154788476
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name4-methyl-N-[1-(1-pyridin-4-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CCN(C(=O)c3cnn(-c4ccncc4)c3)CC2)cc1
InChIInChI=1S/C22H23N5O2/c1-16-2-4-17(5-3-16)21(28)25-19-8-12-26(13-9-19)22(29)18-14-24-27(15-18)20-6-10-23-11-7-20/h2-7,10-11,14-15,19H,8-9,12-13H2,1H3,(H,25,28)
InChIKeyDNLLZOHTARFZDM-UHFFFAOYSA-N
XLogP2.61
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 119183945
N-[1-(4-methylbenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558531
N-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 108562435
N-[1-(2-methylbenzoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110820250
4-(4-methylphenyl)-4-oxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 108552084
N-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 47067173
3,4,5-trihydroxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide
CID 108551461
N-[1-(2-chloropropanoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 108562448
N-[1-(2-chloroacetyl)piperidin-4-yl]-4-methylbenzamide
CID 108559266
[4-(methylamino)piperidin-1-yl]-[1-(4-nitrophenyl)pyrazol-4-yl]methanone;hydrochloride
CID 119562237
4-fluoro-N-[1-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperidin-4-yl]benzamide
CID 46591840

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(1-pyridin-4-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide?
The IUPAC name of 4-methyl-N-[1-(1-pyridin-4-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide (CID 154788476) is 4-methyl-N-[1-(1-pyridin-4-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[1-(1-pyridin-4-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-methyl-N-[1-(1-pyridin-4-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide is Cc1ccc(C(=O)NC2CCN(C(=O)c3cnn(-c4ccncc4)c3)CC2)cc1.
What is the InChIKey of 4-methyl-N-[1-(1-pyridin-4-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide?
The InChIKey is DNLLZOHTARFZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-16-2-4-17(5-3-16)21(28)25-19-8-12-26(13-9-19)22(29)18-14-24-27(15-18)20-6-10-23-11-7-20/h2-7,10-11,14-15,19H,8-9,12-13H2,1H3,(H,25,28).
What are the key properties of 4-methyl-N-[1-(1-pyridin-4-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide?
4-methyl-N-[1-(1-pyridin-4-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide has a molecular weight of 389.46 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(1-pyridin-4-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 154788476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).