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

C13H19ClN4O — CID 63300131

IUPACN-(2-chloro-3-pyridinyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
SMILESCCN(CC(=O)Nc1cccnc1Cl)C1CCNC1
InChIInChI=1S/C13H19ClN4O/c1-2-18(10-5-7-15-8-10)9-12(19)17-11-4-3-6-16-13(11)14/h3-4,6,10,15H,2,5,7-9H2,1H3,(H,17,19)
InChIKeyMGIKYOHGVHGRDT-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.36
Rot. Bonds5

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

N-(2-chloro-3-pyridinyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide (PubChem CID 63300131) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
PubChem CID63300131
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC NameN-(2-chloro-3-pyridinyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
SMILESCCN(CC(=O)Nc1cccnc1Cl)C1CCNC1
InChIInChI=1S/C13H19ClN4O/c1-2-18(10-5-7-15-8-10)9-12(19)17-11-4-3-6-16-13(11)14/h3-4,6,10,15H,2,5,7-9H2,1H3,(H,17,19)
InChIKeyMGIKYOHGVHGRDT-UHFFFAOYSA-N
XLogP1.36
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.36
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-[ethyl(piperidin-4-ylmethyl)amino]acetamide
CID 79703986
N-(4-chloro-2-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63299906
2-[azetidin-3-yl(ethyl)amino]-N-(2-chlorophenyl)acetamide
CID 66183463
N-(2-chloro-3-pyridinyl)-2-[cyclopentyl(2-hydroxyethyl)amino]acetamide
CID 62015649
2-[ethyl(piperidin-4-yl)amino]-N-(2-methylphenyl)acetamide
CID 60805607
N-(2-chloro-4-methylphenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 63637830
N-(4-chlorophenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 63638006
N-(2-chloro-3-pyridinyl)-2-piperidin-4-ylacetamide
CID 54910721
2-[azetidin-3-yl(ethyl)amino]-N-(2,3-dichlorophenyl)acetamide
CID 66181735
N-(2-ethyl-6-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63299311
2-[ethyl(piperidin-3-yl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 63636617

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide (CID 63300131) is N-(2-chloro-3-pyridinyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide is CCN(CC(=O)Nc1cccnc1Cl)C1CCNC1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide?
The InChIKey is MGIKYOHGVHGRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-2-18(10-5-7-15-8-10)9-12(19)17-11-4-3-6-16-13(11)14/h3-4,6,10,15H,2,5,7-9H2,1H3,(H,17,19).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide?
N-(2-chloro-3-pyridinyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide has a molecular weight of 282.77 g/mol, XLogP of 1.36, 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(pyrrolidin-3-yl)amino]acetamide is sourced from PubChem (CID 63300131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).