6-[3-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]propoxy]-N-(1,3-dihydroxypropan-2-yl)-2-methylpyridine-3-carboxamide

C23H31ClN4O4 — CID 66983412

IUPAC6-[3-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]propoxy]-N-(1,3-dihydroxypropan-2-yl)-2-methylpyridine-3-carboxamide
SMILESCc1nc(OCCCC2CCN(c3ccc(Cl)cn3)CC2)ccc1C(=O)NC(CO)CO
InChIInChI=1S/C23H31ClN4O4/c1-16-20(23(31)27-19(14-29)15-30)5-7-22(26-16)32-12-2-3-17-8-10-28(11-9-17)21-6-4-18(24)13-25-21/h4-7,13,17,19,29-30H,2-3,8-12,14-15H2,1H3,(H,27,31)
InChIKeyYXVZTOAWISURCB-UHFFFAOYSA-N
MW462.98 g/mol
LogP2.60
Rot. Bonds10

About 6-[3-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]propoxy]-N-(1,3-dihydroxypropan-2-yl)-2-methylpyridine-3-carboxamide

6-[3-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]propoxy]-N-(1,3-dihydroxypropan-2-yl)-2-methylpyridine-3-carboxamide (PubChem CID 66983412) has the molecular formula C23H31ClN4O4 and a molecular weight of 462.98 g/mol. Its IUPAC name is 6-[3-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]propoxy]-N-(1,3-dihydroxypropan-2-yl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]propoxy]-N-(1,3-dihydroxypropan-2-yl)-2-methylpyridine-3-carboxamide
PubChem CID66983412
Molecular FormulaC23H31ClN4O4
Molecular Weight462.98 g/mol
Exact Mass462.20
IUPAC Name6-[3-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]propoxy]-N-(1,3-dihydroxypropan-2-yl)-2-methylpyridine-3-carboxamide
SMILESCc1nc(OCCCC2CCN(c3ccc(Cl)cn3)CC2)ccc1C(=O)NC(CO)CO
InChIInChI=1S/C23H31ClN4O4/c1-16-20(23(31)27-19(14-29)15-30)5-7-22(26-16)32-12-2-3-17-8-10-28(11-9-17)21-6-4-18(24)13-25-21/h4-7,13,17,19,29-30H,2-3,8-12,14-15H2,1H3,(H,27,31)
InChIKeyYXVZTOAWISURCB-UHFFFAOYSA-N
XLogP2.60
TPSA107.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.98
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]propoxy]-N-[(2S)-2,3-dihydroxypropyl]-2-methylbenzamide
CID 66982939
(4S)-1-[6-[3-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]propoxy]-2-methyl-3-pyridinyl]-4,5-dihydroxypentan-1-one
CID 58493735
4-[3-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]propoxy]-2-methyl-N-[(3R)-oxolan-3-yl]benzamide
CID 44609017
N-(2-hydroxyethyl)-2-methyl-6-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]pyridine-3-carboxamide
CID 24987190
4-[3-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]propoxy]-N-[(2R)-2,3-dihydroxypropyl]-2-methylbenzamide
CID 66983171
1-(5-chloro-2-pyridinyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-4-carboxamide
CID 47918136
N-(1,3-dihydroxypropan-2-yl)-2-methyl-4-(3-piperidin-4-ylpropoxy)benzamide
CID 70666352
1-(5-chloro-2-pyridinyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]piperidine-4-carboxamide
CID 99817294
1-(5-chloro-2-pyridinyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
CID 39394641
(2R)-2-[1-[4-[3-[1-(5-ethyl-2-pyridinyl)piperidin-4-yl]propoxy]-2-methylphenyl]ethenylamino]propan-1-ol
CID 89109464
N-[(4-chlorophenyl)methyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 39705993
1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
CID 16787048

Frequently Asked Questions

What is the IUPAC name of 6-[3-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]propoxy]-N-(1,3-dihydroxypropan-2-yl)-2-methylpyridine-3-carboxamide?
The IUPAC name of 6-[3-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]propoxy]-N-(1,3-dihydroxypropan-2-yl)-2-methylpyridine-3-carboxamide (CID 66983412) is 6-[3-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]propoxy]-N-(1,3-dihydroxypropan-2-yl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[3-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]propoxy]-N-(1,3-dihydroxypropan-2-yl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[3-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]propoxy]-N-(1,3-dihydroxypropan-2-yl)-2-methylpyridine-3-carboxamide is Cc1nc(OCCCC2CCN(c3ccc(Cl)cn3)CC2)ccc1C(=O)NC(CO)CO.
What is the InChIKey of 6-[3-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]propoxy]-N-(1,3-dihydroxypropan-2-yl)-2-methylpyridine-3-carboxamide?
The InChIKey is YXVZTOAWISURCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN4O4/c1-16-20(23(31)27-19(14-29)15-30)5-7-22(26-16)32-12-2-3-17-8-10-28(11-9-17)21-6-4-18(24)13-25-21/h4-7,13,17,19,29-30H,2-3,8-12,14-15H2,1H3,(H,27,31).
What are the key properties of 6-[3-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]propoxy]-N-(1,3-dihydroxypropan-2-yl)-2-methylpyridine-3-carboxamide?
6-[3-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]propoxy]-N-(1,3-dihydroxypropan-2-yl)-2-methylpyridine-3-carboxamide has a molecular weight of 462.98 g/mol, XLogP of 2.60, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]propoxy]-N-(1,3-dihydroxypropan-2-yl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 66983412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).