N-[1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]-2-(1-hydroxycyclopropyl)acetamide

C21H25ClN4O2 — CID 118075021

IUPACN-[1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]-2-(1-hydroxycyclopropyl)acetamide
SMILESCc1cccnc1-c1cc(N2CCC(NC(=O)CC3(O)CC3)CC2)ncc1Cl
InChIInChI=1S/C21H25ClN4O2/c1-14-3-2-8-23-20(14)16-11-18(24-13-17(16)22)26-9-4-15(5-10-26)25-19(27)12-21(28)6-7-21/h2-3,8,11,13,15,28H,4-7,9-10,12H2,1H3,(H,25,27)
InChIKeyVQZOIJUPNGWRHG-UHFFFAOYSA-N
MW400.91 g/mol
LogP3.11
Rot. Bonds5

About N-[1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]-2-(1-hydroxycyclopropyl)acetamide

N-[1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]-2-(1-hydroxycyclopropyl)acetamide (PubChem CID 118075021) has the molecular formula C21H25ClN4O2 and a molecular weight of 400.91 g/mol. Its IUPAC name is N-[1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]-2-(1-hydroxycyclopropyl)acetamide.

Molecular Properties

Compound NameN-[1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]-2-(1-hydroxycyclopropyl)acetamide
PubChem CID118075021
Molecular FormulaC21H25ClN4O2
Molecular Weight400.91 g/mol
Exact Mass400.17
IUPAC NameN-[1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]-2-(1-hydroxycyclopropyl)acetamide
SMILESCc1cccnc1-c1cc(N2CCC(NC(=O)CC3(O)CC3)CC2)ncc1Cl
InChIInChI=1S/C21H25ClN4O2/c1-14-3-2-8-23-20(14)16-11-18(24-13-17(16)22)26-9-4-15(5-10-26)25-19(27)12-21(28)6-7-21/h2-3,8,11,13,15,28H,4-7,9-10,12H2,1H3,(H,25,27)
InChIKeyVQZOIJUPNGWRHG-UHFFFAOYSA-N
XLogP3.11
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]-2-(1-hydroxycyclopropyl)acetamide with MolForge

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Related Compounds

1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide
CID 67508735
[2-[[1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]amino]-2-oxoethyl]-methyloxidanium
CID 163523529
2-(1-hydroxycyclohexyl)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 111331870
1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]piperidine-4-carboxamide
CID 134426883
1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-methylpiperidin-4-amine
CID 134426993
2-(1-hydroxycyclohexyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide
CID 97241202
N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-yl]piperidin-4-yl]propanamide
CID 143312981
1-(5-chloro-4-methyl-2-pyridinyl)-N-cyclohexylpiperidine-4-carboxamide
CID 123365638
3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide
CID 61250819
2-[5-chloro-2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]-3,5-dimethylpyridine
CID 69044585
2-(2,6-dichlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55705364
2-(2,5-dimethylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 154779927

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]-2-(1-hydroxycyclopropyl)acetamide?
The IUPAC name of N-[1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]-2-(1-hydroxycyclopropyl)acetamide (CID 118075021) is N-[1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]-2-(1-hydroxycyclopropyl)acetamide.
What is the SMILES notation for N-[1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]-2-(1-hydroxycyclopropyl)acetamide?
The canonical SMILES for N-[1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]-2-(1-hydroxycyclopropyl)acetamide is Cc1cccnc1-c1cc(N2CCC(NC(=O)CC3(O)CC3)CC2)ncc1Cl.
What is the InChIKey of N-[1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]-2-(1-hydroxycyclopropyl)acetamide?
The InChIKey is VQZOIJUPNGWRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O2/c1-14-3-2-8-23-20(14)16-11-18(24-13-17(16)22)26-9-4-15(5-10-26)25-19(27)12-21(28)6-7-21/h2-3,8,11,13,15,28H,4-7,9-10,12H2,1H3,(H,25,27).
What are the key properties of N-[1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]-2-(1-hydroxycyclopropyl)acetamide?
N-[1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]-2-(1-hydroxycyclopropyl)acetamide has a molecular weight of 400.91 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]-2-(1-hydroxycyclopropyl)acetamide is sourced from PubChem (CID 118075021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).