N-(2-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-ylmethyl)amino]acetamide

C15H23ClN4O — CID 79703986

IUPACN-(2-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-ylmethyl)amino]acetamide
SMILESCCN(CC(=O)Nc1cccnc1Cl)CC1CCNCC1
InChIInChI=1S/C15H23ClN4O/c1-2-20(10-12-5-8-17-9-6-12)11-14(21)19-13-4-3-7-18-15(13)16/h3-4,7,12,17H,2,5-6,8-11H2,1H3,(H,19,21)
InChIKeyKFEUNIKEUHBNCY-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.00
Rot. Bonds6

About N-(2-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-ylmethyl)amino]acetamide

N-(2-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-ylmethyl)amino]acetamide (PubChem CID 79703986) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-ylmethyl)amino]acetamide
PubChem CID79703986
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC NameN-(2-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-ylmethyl)amino]acetamide
SMILESCCN(CC(=O)Nc1cccnc1Cl)CC1CCNCC1
InChIInChI=1S/C15H23ClN4O/c1-2-20(10-12-5-8-17-9-6-12)11-14(21)19-13-4-3-7-18-15(13)16/h3-4,7,12,17H,2,5-6,8-11H2,1H3,(H,19,21)
InChIKeyKFEUNIKEUHBNCY-UHFFFAOYSA-N
XLogP2.00
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-yl)amino]acetamide
CID 60807840
N-(2-chloro-3-pyridinyl)-2-piperidin-4-ylacetamide
CID 54910721
N-(2-chloro-3-pyridinyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63300131
N-(2,6-dichlorophenyl)-2-[ethyl(piperidin-4-ylmethyl)amino]acetamide;hydrochloride
CID 119929877
2-[benzyl(ethyl)amino]-N-(2-chloro-3-pyridinyl)acetamide
CID 8547504
N-(2-chloro-3-pyridinyl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide
CID 111497113
N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide
CID 119929563
N-(2-chloro-3-pyridinyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
CID 102636426
2-[cyclopropylmethyl(ethyl)amino]-N-(2,4,5-trichlorophenyl)acetamide
CID 86946248
2-[(4-chlorophenyl)methyl-(piperidin-4-ylmethyl)amino]-N-(2-fluorophenyl)acetamide
CID 119930491
N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide;hydrochloride
CID 119929562
2-[ethyl(piperidin-4-ylmethyl)amino]-N-(3-methoxyphenyl)acetamide;hydrochloride
CID 119929477

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-ylmethyl)amino]acetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-ylmethyl)amino]acetamide (CID 79703986) is N-(2-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-ylmethyl)amino]acetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-ylmethyl)amino]acetamide is CCN(CC(=O)Nc1cccnc1Cl)CC1CCNCC1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-ylmethyl)amino]acetamide?
The InChIKey is KFEUNIKEUHBNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-2-20(10-12-5-8-17-9-6-12)11-14(21)19-13-4-3-7-18-15(13)16/h3-4,7,12,17H,2,5-6,8-11H2,1H3,(H,19,21).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-ylmethyl)amino]acetamide?
N-(2-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-ylmethyl)amino]acetamide has a molecular weight of 310.83 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-ylmethyl)amino]acetamide is sourced from PubChem (CID 79703986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).