(3R)-N-(5-chloro-2-pyridinyl)-1-[4-(2,2-dimethylpropanoylamino)pyridine-3-carbonyl]piperidine-3-carboxamide

C22H26ClN5O3 — CID 99783486

IUPAC(3R)-N-(5-chloro-2-pyridinyl)-1-[4-(2,2-dimethylpropanoylamino)pyridine-3-carbonyl]piperidine-3-carboxamide
SMILESCC(C)(C)C(=O)Nc1ccncc1C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C22H26ClN5O3/c1-22(2,3)21(31)26-17-8-9-24-12-16(17)20(30)28-10-4-5-14(13-28)19(29)27-18-7-6-15(23)11-25-18/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,24,26,31)(H,25,27,29)/t14-/m1/s1
InChIKeyMVYPPLVKFOEXJS-CQSZACIVSA-N
MW443.94 g/mol
LogP3.61
Rot. Bonds4

About (3R)-N-(5-chloro-2-pyridinyl)-1-[4-(2,2-dimethylpropanoylamino)pyridine-3-carbonyl]piperidine-3-carboxamide

(3R)-N-(5-chloro-2-pyridinyl)-1-[4-(2,2-dimethylpropanoylamino)pyridine-3-carbonyl]piperidine-3-carboxamide (PubChem CID 99783486) has the molecular formula C22H26ClN5O3 and a molecular weight of 443.94 g/mol. Its IUPAC name is (3R)-N-(5-chloro-2-pyridinyl)-1-[4-(2,2-dimethylpropanoylamino)pyridine-3-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(5-chloro-2-pyridinyl)-1-[4-(2,2-dimethylpropanoylamino)pyridine-3-carbonyl]piperidine-3-carboxamide
PubChem CID99783486
Molecular FormulaC22H26ClN5O3
Molecular Weight443.94 g/mol
Exact Mass443.17
IUPAC Name(3R)-N-(5-chloro-2-pyridinyl)-1-[4-(2,2-dimethylpropanoylamino)pyridine-3-carbonyl]piperidine-3-carboxamide
SMILESCC(C)(C)C(=O)Nc1ccncc1C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C22H26ClN5O3/c1-22(2,3)21(31)26-17-8-9-24-12-16(17)20(30)28-10-4-5-14(13-28)19(29)27-18-7-6-15(23)11-25-18/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,24,26,31)(H,25,27,29)/t14-/m1/s1
InChIKeyMVYPPLVKFOEXJS-CQSZACIVSA-N
XLogP3.61
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.94
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-N-(5-chloro-2-pyridinyl)-1-[4-(2,2-dimethylpropanoylamino)pyridine-3-carbonyl]piperidine-3-carboxamide with MolForge

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Related Compounds

N-(5-chloro-2-pyridinyl)-1-(2-iodo-3-methylbenzoyl)piperidine-3-carboxamide
CID 55924407
1-(1-aminocyclopropanecarbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 119856459
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-propan-2-ylpiperidine-3-carboxamide
CID 166193179
3-N-(5-chloro-2-pyridinyl)-1-N-(1,3-dioxoisoindol-5-yl)piperidine-1,3-dicarboxamide
CID 154833960
N-(5-chloro-2-pyridinyl)-1-[4-(diethylsulfamoyl)benzoyl]piperidine-3-carboxamide
CID 55818676
1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55930502
(3R)-N-(5-chloro-2-pyridinyl)-1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidine-3-carboxamide
CID 51960694
1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 119856461
N-(5-bromo-2-pyridinyl)-1-[2-(4-chlorophenyl)-2-methylpropanoyl]piperidine-3-carboxamide
CID 55992804
1-[2-amino-2-(oxan-4-yl)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 120798562
N-(5-chloro-2-pyridinyl)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxamide
CID 55931025

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-chloro-2-pyridinyl)-1-[4-(2,2-dimethylpropanoylamino)pyridine-3-carbonyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(5-chloro-2-pyridinyl)-1-[4-(2,2-dimethylpropanoylamino)pyridine-3-carbonyl]piperidine-3-carboxamide (CID 99783486) is (3R)-N-(5-chloro-2-pyridinyl)-1-[4-(2,2-dimethylpropanoylamino)pyridine-3-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(5-chloro-2-pyridinyl)-1-[4-(2,2-dimethylpropanoylamino)pyridine-3-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(5-chloro-2-pyridinyl)-1-[4-(2,2-dimethylpropanoylamino)pyridine-3-carbonyl]piperidine-3-carboxamide is CC(C)(C)C(=O)Nc1ccncc1C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1.
What is the InChIKey of (3R)-N-(5-chloro-2-pyridinyl)-1-[4-(2,2-dimethylpropanoylamino)pyridine-3-carbonyl]piperidine-3-carboxamide?
The InChIKey is MVYPPLVKFOEXJS-CQSZACIVSA-N. The full InChI is InChI=1S/C22H26ClN5O3/c1-22(2,3)21(31)26-17-8-9-24-12-16(17)20(30)28-10-4-5-14(13-28)19(29)27-18-7-6-15(23)11-25-18/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,24,26,31)(H,25,27,29)/t14-/m1/s1.
What are the key properties of (3R)-N-(5-chloro-2-pyridinyl)-1-[4-(2,2-dimethylpropanoylamino)pyridine-3-carbonyl]piperidine-3-carboxamide?
(3R)-N-(5-chloro-2-pyridinyl)-1-[4-(2,2-dimethylpropanoylamino)pyridine-3-carbonyl]piperidine-3-carboxamide has a molecular weight of 443.94 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-chloro-2-pyridinyl)-1-[4-(2,2-dimethylpropanoylamino)pyridine-3-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 99783486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).