N-[(3S,5R)-5-hydroxy-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]-5-pyridin-3-ylpentanamide

C22H33N5O3 — CID 166621207

IUPACN-[(3S,5R)-5-hydroxy-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]-5-pyridin-3-ylpentanamide
SMILESCOCCn1cncc1CN1C[C@H](O)C[C@H](NC(=O)CCCCc2cccnc2)C1
InChIInChI=1S/C22H33N5O3/c1-30-10-9-27-17-24-13-20(27)15-26-14-19(11-21(28)16-26)25-22(29)7-3-2-5-18-6-4-8-23-12-18/h4,6,8,12-13,17,19,21,28H,2-3,5,7,9-11,14-16H2,1H3,(H,25,29)/t19-,21+/m0/s1
InChIKeyMGBGMQDUACWJJV-PZJWPPBQSA-N
MW415.54 g/mol
LogP1.39
Rot. Bonds11

About N-[(3S,5R)-5-hydroxy-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]-5-pyridin-3-ylpentanamide

N-[(3S,5R)-5-hydroxy-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]-5-pyridin-3-ylpentanamide (PubChem CID 166621207) has the molecular formula C22H33N5O3 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[(3S,5R)-5-hydroxy-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]-5-pyridin-3-ylpentanamide.

Molecular Properties

Compound NameN-[(3S,5R)-5-hydroxy-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]-5-pyridin-3-ylpentanamide
PubChem CID166621207
Molecular FormulaC22H33N5O3
Molecular Weight415.54 g/mol
Exact Mass415.26
IUPAC NameN-[(3S,5R)-5-hydroxy-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]-5-pyridin-3-ylpentanamide
SMILESCOCCn1cncc1CN1C[C@H](O)C[C@H](NC(=O)CCCCc2cccnc2)C1
InChIInChI=1S/C22H33N5O3/c1-30-10-9-27-17-24-13-20(27)15-26-14-19(11-21(28)16-26)25-22(29)7-3-2-5-18-6-4-8-23-12-18/h4,6,8,12-13,17,19,21,28H,2-3,5,7,9-11,14-16H2,1H3,(H,25,29)/t19-,21+/m0/s1
InChIKeyMGBGMQDUACWJJV-PZJWPPBQSA-N
XLogP1.39
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[(3S,5R)-5-hydroxy-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]-5-pyridin-3-ylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-hydroxycyclohexyl)-4-pyridin-3-ylbutanamide
CID 115277500
(3aR,6aS)-2-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 139599274
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-3-methoxypropanamide
CID 91922899
N-cyclopropyl-4-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]butanamide
CID 79400872
N',N'-diethyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butanediamide
CID 154795042
N-[3-hydroxy-1-(pyridin-3-ylmethyl)piperidin-4-yl]pentanamide
CID 166331020
N-[(3aS,5R,6R,7aR)-6-hydroxy-2-(5-pyridin-3-ylpentanoyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]acetamide
CID 172672577
N-(4-methoxybutyl)-4-pyridin-3-ylbutanamide
CID 110610244
N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-4-(tetrazol-1-yl)butanamide
CID 125442193
(2R,3R)-N-cyclopropyl-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 125236994
N-[(3S,7R,8aS)-3-[2-(dimethylamino)-2-oxoethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-pyridin-3-ylpropanamide
CID 155499779
N-[(3S,5R)-5-hydroxy-1-[(2-phenylpyrazol-3-yl)methyl]piperidin-3-yl]-2-(3-methylphenyl)acetamide
CID 169411598

Frequently Asked Questions

What is the IUPAC name of N-[(3S,5R)-5-hydroxy-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]-5-pyridin-3-ylpentanamide?
The IUPAC name of N-[(3S,5R)-5-hydroxy-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]-5-pyridin-3-ylpentanamide (CID 166621207) is N-[(3S,5R)-5-hydroxy-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]-5-pyridin-3-ylpentanamide.
What is the SMILES notation for N-[(3S,5R)-5-hydroxy-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]-5-pyridin-3-ylpentanamide?
The canonical SMILES for N-[(3S,5R)-5-hydroxy-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]-5-pyridin-3-ylpentanamide is COCCn1cncc1CN1C[C@H](O)C[C@H](NC(=O)CCCCc2cccnc2)C1.
What is the InChIKey of N-[(3S,5R)-5-hydroxy-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]-5-pyridin-3-ylpentanamide?
The InChIKey is MGBGMQDUACWJJV-PZJWPPBQSA-N. The full InChI is InChI=1S/C22H33N5O3/c1-30-10-9-27-17-24-13-20(27)15-26-14-19(11-21(28)16-26)25-22(29)7-3-2-5-18-6-4-8-23-12-18/h4,6,8,12-13,17,19,21,28H,2-3,5,7,9-11,14-16H2,1H3,(H,25,29)/t19-,21+/m0/s1.
What are the key properties of N-[(3S,5R)-5-hydroxy-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]-5-pyridin-3-ylpentanamide?
N-[(3S,5R)-5-hydroxy-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]-5-pyridin-3-ylpentanamide has a molecular weight of 415.54 g/mol, XLogP of 1.39, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5R)-5-hydroxy-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]-5-pyridin-3-ylpentanamide is sourced from PubChem (CID 166621207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).