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

C14H21ClN4O — CID 60807840

IUPACN-(2-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-yl)amino]acetamide
SMILESCCN(CC(=O)Nc1cccnc1Cl)C1CCNCC1
InChIInChI=1S/C14H21ClN4O/c1-2-19(11-5-8-16-9-6-11)10-13(20)18-12-4-3-7-17-14(12)15/h3-4,7,11,16H,2,5-6,8-10H2,1H3,(H,18,20)
InChIKeyNSZCMMSEWKHXTO-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.75
Rot. Bonds5

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

N-(2-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-yl)amino]acetamide (PubChem CID 60807840) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-yl)amino]acetamide
PubChem CID60807840
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC NameN-(2-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-yl)amino]acetamide
SMILESCCN(CC(=O)Nc1cccnc1Cl)C1CCNCC1
InChIInChI=1S/C14H21ClN4O/c1-2-19(11-5-8-16-9-6-11)10-13(20)18-12-4-3-7-17-14(12)15/h3-4,7,11,16H,2,5-6,8-10H2,1H3,(H,18,20)
InChIKeyNSZCMMSEWKHXTO-UHFFFAOYSA-N
XLogP1.75
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.75
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(pyrrolidin-3-yl)amino]acetamide
CID 63300131
N-(2-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-ylmethyl)amino]acetamide
CID 79703986
2-[ethyl(piperidin-4-yl)amino]-N-(2-methylphenyl)acetamide
CID 60805607
N-(2-chloro-3-pyridinyl)-2-[cyclopentyl(2-hydroxyethyl)amino]acetamide
CID 62015649
N-(2-chloro-3-pyridinyl)-2-piperidin-4-ylacetamide
CID 54910721
N-(2,5-dimethylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide
CID 60806799
N-(2-bromo-4-methylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide
CID 60807310
2-[ethyl(piperidin-4-yl)amino]-N-(4-iodo-2-methylphenyl)acetamide
CID 60807142
2-[azetidin-3-yl(ethyl)amino]-N-(2-chlorophenyl)acetamide
CID 66183463
N-(2-chloro-3-pyridinyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
CID 102636426
N-(4-chloro-2-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63299906
2-[benzyl(ethyl)amino]-N-(2-chloro-3-pyridinyl)acetamide
CID 8547504

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-yl)amino]acetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-yl)amino]acetamide (CID 60807840) is N-(2-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-yl)amino]acetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-yl)amino]acetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-yl)amino]acetamide is CCN(CC(=O)Nc1cccnc1Cl)C1CCNCC1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-yl)amino]acetamide?
The InChIKey is NSZCMMSEWKHXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-2-19(11-5-8-16-9-6-11)10-13(20)18-12-4-3-7-17-14(12)15/h3-4,7,11,16H,2,5-6,8-10H2,1H3,(H,18,20).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-yl)amino]acetamide?
N-(2-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-yl)amino]acetamide has a molecular weight of 296.80 g/mol, XLogP of 1.75, 5 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-yl)amino]acetamide is sourced from PubChem (CID 60807840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).