4-benzamido-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-1-carboxamide

C21H24N6O2 — CID 86993976

IUPAC4-benzamido-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-1-carboxamide
SMILESCc1nn(C)c2ncc(NC(=O)N3CCC(NC(=O)c4ccccc4)CC3)cc12
InChIInChI=1S/C21H24N6O2/c1-14-18-12-17(13-22-19(18)26(2)25-14)24-21(29)27-10-8-16(9-11-27)23-20(28)15-6-4-3-5-7-15/h3-7,12-13,16H,8-11H2,1-2H3,(H,23,28)(H,24,29)
InChIKeySSFXOMKRSAFHSD-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.70
Rot. Bonds3

About 4-benzamido-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-1-carboxamide

4-benzamido-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-1-carboxamide (PubChem CID 86993976) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-benzamido-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-benzamido-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-1-carboxamide
PubChem CID86993976
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name4-benzamido-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-1-carboxamide
SMILESCc1nn(C)c2ncc(NC(=O)N3CCC(NC(=O)c4ccccc4)CC3)cc12
InChIInChI=1S/C21H24N6O2/c1-14-18-12-17(13-22-19(18)26(2)25-14)24-21(29)27-10-8-16(9-11-27)23-20(28)15-6-4-3-5-7-15/h3-7,12-13,16H,8-11H2,1-2H3,(H,23,28)(H,24,29)
InChIKeySSFXOMKRSAFHSD-UHFFFAOYSA-N
XLogP2.70
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-phenylazetidine-1-carboxamide
CID 94181192
N-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31327880
4-benzamido-N-(3-methylphenyl)piperidine-1-carboxamide
CID 43814049
4-(4-benzamidopiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 33308938
N-(4-hydroxycyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 43394642
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-phenylpyrrolidine-2-carboxamide
CID 139009521
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,4-dimethylbenzamide
CID 51334456
4-benzamido-N-(2,6-dimethylphenyl)piperidine-1-carboxamide
CID 43814093
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 134024964
1-acetyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-phenylpiperidine-4-carboxamide
CID 134023672
3-cyano-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 31520219
4-benzamido-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-1-carboxamide
CID 47041270

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-1-carboxamide?
The IUPAC name of 4-benzamido-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-1-carboxamide (CID 86993976) is 4-benzamido-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-benzamido-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-benzamido-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-1-carboxamide is Cc1nn(C)c2ncc(NC(=O)N3CCC(NC(=O)c4ccccc4)CC3)cc12.
What is the InChIKey of 4-benzamido-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-1-carboxamide?
The InChIKey is SSFXOMKRSAFHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-14-18-12-17(13-22-19(18)26(2)25-14)24-21(29)27-10-8-16(9-11-27)23-20(28)15-6-4-3-5-7-15/h3-7,12-13,16H,8-11H2,1-2H3,(H,23,28)(H,24,29).
What are the key properties of 4-benzamido-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-1-carboxamide?
4-benzamido-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-1-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 86993976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).