5-N-(2-methylpropyl)-4-oxo-3-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide

C26H37N5O3 — CID 45206058

IUPAC5-N-(2-methylpropyl)-4-oxo-3-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCC(C)CNC(=O)c1cn(C(C)C)cc(C(=O)NCC(c2cccnc2)N2CCCCC2)c1=O
InChIInChI=1S/C26H37N5O3/c1-18(2)13-28-25(33)21-16-31(19(3)4)17-22(24(21)32)26(34)29-15-23(20-9-8-10-27-14-20)30-11-6-5-7-12-30/h8-10,14,16-19,23H,5-7,11-13,15H2,1-4H3,(H,28,33)(H,29,34)
InChIKeyKEEMDEAPGPLQGR-UHFFFAOYSA-N
MW467.61 g/mol
LogP3.17
Rot. Bonds9

About 5-N-(2-methylpropyl)-4-oxo-3-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide

5-N-(2-methylpropyl)-4-oxo-3-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide (PubChem CID 45206058) has the molecular formula C26H37N5O3 and a molecular weight of 467.61 g/mol. Its IUPAC name is 5-N-(2-methylpropyl)-4-oxo-3-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(2-methylpropyl)-4-oxo-3-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide
PubChem CID45206058
Molecular FormulaC26H37N5O3
Molecular Weight467.61 g/mol
Exact Mass467.29
IUPAC Name5-N-(2-methylpropyl)-4-oxo-3-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCC(C)CNC(=O)c1cn(C(C)C)cc(C(=O)NCC(c2cccnc2)N2CCCCC2)c1=O
InChIInChI=1S/C26H37N5O3/c1-18(2)13-28-25(33)21-16-31(19(3)4)17-22(24(21)32)26(34)29-15-23(20-9-8-10-27-14-20)30-11-6-5-7-12-30/h8-10,14,16-19,23H,5-7,11-13,15H2,1-4H3,(H,28,33)(H,29,34)
InChIKeyKEEMDEAPGPLQGR-UHFFFAOYSA-N
XLogP3.17
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)furan-3-carboxamide
CID 131907416
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CID 99929015
5-methoxy-2-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 146042975
6-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 74236670
N-[(2R)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 97187717
5-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]thiophene-2-carboxylic acid
CID 74242695
1-propyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 166207360
2-oxo-N-[(2S)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 97078438
N-[2-(azepan-1-yl)-2-phenylethyl]-3-methylpyridine-4-carboxamide
CID 131940299
4-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 74234117
N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-2-propyl-1,3-thiazole-4-carboxamide
CID 72916413
N-[(2R)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 97145393

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methylpropyl)-4-oxo-3-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(2-methylpropyl)-4-oxo-3-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide (CID 45206058) is 5-N-(2-methylpropyl)-4-oxo-3-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(2-methylpropyl)-4-oxo-3-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(2-methylpropyl)-4-oxo-3-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide is CC(C)CNC(=O)c1cn(C(C)C)cc(C(=O)NCC(c2cccnc2)N2CCCCC2)c1=O.
What is the InChIKey of 5-N-(2-methylpropyl)-4-oxo-3-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide?
The InChIKey is KEEMDEAPGPLQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O3/c1-18(2)13-28-25(33)21-16-31(19(3)4)17-22(24(21)32)26(34)29-15-23(20-9-8-10-27-14-20)30-11-6-5-7-12-30/h8-10,14,16-19,23H,5-7,11-13,15H2,1-4H3,(H,28,33)(H,29,34).
What are the key properties of 5-N-(2-methylpropyl)-4-oxo-3-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide?
5-N-(2-methylpropyl)-4-oxo-3-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide has a molecular weight of 467.61 g/mol, XLogP of 3.17, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methylpropyl)-4-oxo-3-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 45206058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).