N-[5-chloro-1-(1-methylpiperidin-4-yl)-2H-pyridin-3-yl]acetamide

C13H20ClN3O — CID 139425631

IUPACN-[5-chloro-1-(1-methylpiperidin-4-yl)-2H-pyridin-3-yl]acetamide
SMILESCC(=O)NC1=CC(Cl)=CN(C2CCN(C)CC2)C1
InChIInChI=1S/C13H20ClN3O/c1-10(18)15-12-7-11(14)8-17(9-12)13-3-5-16(2)6-4-13/h7-8,13H,3-6,9H2,1-2H3,(H,15,18)
InChIKeyZPDKGCQPTDAQTB-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.50
Rot. Bonds2

About N-[5-chloro-1-(1-methylpiperidin-4-yl)-2H-pyridin-3-yl]acetamide

N-[5-chloro-1-(1-methylpiperidin-4-yl)-2H-pyridin-3-yl]acetamide (PubChem CID 139425631) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is N-[5-chloro-1-(1-methylpiperidin-4-yl)-2H-pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-chloro-1-(1-methylpiperidin-4-yl)-2H-pyridin-3-yl]acetamide
PubChem CID139425631
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC NameN-[5-chloro-1-(1-methylpiperidin-4-yl)-2H-pyridin-3-yl]acetamide
SMILESCC(=O)NC1=CC(Cl)=CN(C2CCN(C)CC2)C1
InChIInChI=1S/C13H20ClN3O/c1-10(18)15-12-7-11(14)8-17(9-12)13-3-5-16(2)6-4-13/h7-8,13H,3-6,9H2,1-2H3,(H,15,18)
InChIKeyZPDKGCQPTDAQTB-UHFFFAOYSA-N
XLogP1.50
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Chloro-3-(methylamino)-1-(1-methylpiperidin-4-yl)pyridin-2-one
CID 137449044
5-chloro-3-(methylamino)-1-[(3R)-1-methylpiperidin-3-yl]pyridin-2-one
CID 137449501
5-chloro-1-[(3S)-1-methylpiperidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one
CID 137449506
5-Chloro-1-(1-methylpiperidin-3-yl)-3-(propan-2-ylamino)pyridin-2-one
CID 137449507
N-(5-chloro-2-oxo-1-piperidin-4-yl-3-pyridinyl)acetamide
CID 137450138
3-Amino-5-chloro-1-(1-methylpiperidin-4-yl)pyridin-2-one
CID 137450140
N-[5-chloro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]acetamide
CID 137450142
3-Amino-5-chloro-1-(1-methylpiperidin-3-yl)pyridin-2-one
CID 137450638
N-[5-chloro-1-(1-methylpiperidin-3-yl)-2-oxo-3-pyridinyl]acetamide
CID 137450639
5-Chloro-1-(1-methylpiperidin-4-yl)-3-(propan-2-ylamino)pyridin-2-one
CID 137457245
5-chloro-1-[(3R)-1-methylpiperidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one
CID 137457660
5-chloro-3-(methylamino)-1-[(3S)-1-methylpiperidin-3-yl]pyridin-2-one
CID 139373401

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-1-(1-methylpiperidin-4-yl)-2H-pyridin-3-yl]acetamide?
The IUPAC name of N-[5-chloro-1-(1-methylpiperidin-4-yl)-2H-pyridin-3-yl]acetamide (CID 139425631) is N-[5-chloro-1-(1-methylpiperidin-4-yl)-2H-pyridin-3-yl]acetamide.
What is the SMILES notation for N-[5-chloro-1-(1-methylpiperidin-4-yl)-2H-pyridin-3-yl]acetamide?
The canonical SMILES for N-[5-chloro-1-(1-methylpiperidin-4-yl)-2H-pyridin-3-yl]acetamide is CC(=O)NC1=CC(Cl)=CN(C2CCN(C)CC2)C1.
What is the InChIKey of N-[5-chloro-1-(1-methylpiperidin-4-yl)-2H-pyridin-3-yl]acetamide?
The InChIKey is ZPDKGCQPTDAQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-10(18)15-12-7-11(14)8-17(9-12)13-3-5-16(2)6-4-13/h7-8,13H,3-6,9H2,1-2H3,(H,15,18).
What are the key properties of N-[5-chloro-1-(1-methylpiperidin-4-yl)-2H-pyridin-3-yl]acetamide?
N-[5-chloro-1-(1-methylpiperidin-4-yl)-2H-pyridin-3-yl]acetamide has a molecular weight of 269.78 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-1-(1-methylpiperidin-4-yl)-2H-pyridin-3-yl]acetamide is sourced from PubChem (CID 139425631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).