3-N-(5-chloro-2-pyridinyl)-1-N-(3-methyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide

C22H23ClN6O2 — CID 155947673

IUPAC3-N-(5-chloro-2-pyridinyl)-1-N-(3-methyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide
SMILESCc1nn(-c2ccccc2)cc1NC(=O)N1CCCC(C(=O)Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C22H23ClN6O2/c1-15-19(14-29(27-15)18-7-3-2-4-8-18)25-22(31)28-11-5-6-16(13-28)21(30)26-20-10-9-17(23)12-24-20/h2-4,7-10,12,14,16H,5-6,11,13H2,1H3,(H,25,31)(H,24,26,30)
InChIKeyTUORZYCACQXBEE-UHFFFAOYSA-N
MW438.92 g/mol
LogP4.11
Rot. Bonds4

About 3-N-(5-chloro-2-pyridinyl)-1-N-(3-methyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide

3-N-(5-chloro-2-pyridinyl)-1-N-(3-methyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide (PubChem CID 155947673) has the molecular formula C22H23ClN6O2 and a molecular weight of 438.92 g/mol. Its IUPAC name is 3-N-(5-chloro-2-pyridinyl)-1-N-(3-methyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(5-chloro-2-pyridinyl)-1-N-(3-methyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide
PubChem CID155947673
Molecular FormulaC22H23ClN6O2
Molecular Weight438.92 g/mol
Exact Mass438.16
IUPAC Name3-N-(5-chloro-2-pyridinyl)-1-N-(3-methyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide
SMILESCc1nn(-c2ccccc2)cc1NC(=O)N1CCCC(C(=O)Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C22H23ClN6O2/c1-15-19(14-29(27-15)18-7-3-2-4-8-18)25-22(31)28-11-5-6-16(13-28)21(30)26-20-10-9-17(23)12-24-20/h2-4,7-10,12,14,16H,5-6,11,13H2,1H3,(H,25,31)(H,24,26,30)
InChIKeyTUORZYCACQXBEE-UHFFFAOYSA-N
XLogP4.11
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-pyridinyl)-1-(2-iodo-3-methylbenzoyl)piperidine-3-carboxamide
CID 55924407
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CID 55812737
1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 60565468
1-(1-aminocyclopropanecarbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 119856459
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CID 55813120
4-N-(5-chloro-2-pyridinyl)-1-N-phenylpiperidine-1,4-dicarboxamide
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4-N-(5-chloro-2-pyridinyl)-1-N-(2-fluorophenyl)piperidine-1,4-dicarboxamide
CID 47065712
N-(5-chloro-2-pyridinyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 166193179
3-N-(5-chloro-2-pyridinyl)-1-N-(1,3-dioxoisoindol-5-yl)piperidine-1,3-dicarboxamide
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N-(5-chloro-2-pyridinyl)-1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxamide
CID 56505966
1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55818612
N-(5-chloro-2-pyridinyl)-1-[2-[(3-methylphenyl)carbamoylamino]acetyl]piperidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-N-(5-chloro-2-pyridinyl)-1-N-(3-methyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-(5-chloro-2-pyridinyl)-1-N-(3-methyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide (CID 155947673) is 3-N-(5-chloro-2-pyridinyl)-1-N-(3-methyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(5-chloro-2-pyridinyl)-1-N-(3-methyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(5-chloro-2-pyridinyl)-1-N-(3-methyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide is Cc1nn(-c2ccccc2)cc1NC(=O)N1CCCC(C(=O)Nc2ccc(Cl)cn2)C1.
What is the InChIKey of 3-N-(5-chloro-2-pyridinyl)-1-N-(3-methyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide?
The InChIKey is TUORZYCACQXBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6O2/c1-15-19(14-29(27-15)18-7-3-2-4-8-18)25-22(31)28-11-5-6-16(13-28)21(30)26-20-10-9-17(23)12-24-20/h2-4,7-10,12,14,16H,5-6,11,13H2,1H3,(H,25,31)(H,24,26,30).
What are the key properties of 3-N-(5-chloro-2-pyridinyl)-1-N-(3-methyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide?
3-N-(5-chloro-2-pyridinyl)-1-N-(3-methyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide has a molecular weight of 438.92 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-chloro-2-pyridinyl)-1-N-(3-methyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 155947673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).