N-(2-chloro-3-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide

C12H18ClN3O2 — CID 60691996

IUPACN-(2-chloro-3-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(CCO)CC(=O)Nc1cccnc1Cl
InChIInChI=1S/C12H18ClN3O2/c1-9(2)16(6-7-17)8-11(18)15-10-4-3-5-14-12(10)13/h3-5,9,17H,6-8H2,1-2H3,(H,15,18)
InChIKeyINOJEMGDEWABRC-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.38
Rot. Bonds6

About N-(2-chloro-3-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide

N-(2-chloro-3-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide (PubChem CID 60691996) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
PubChem CID60691996
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC NameN-(2-chloro-3-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(CCO)CC(=O)Nc1cccnc1Cl
InChIInChI=1S/C12H18ClN3O2/c1-9(2)16(6-7-17)8-11(18)15-10-4-3-5-14-12(10)13/h3-5,9,17H,6-8H2,1-2H3,(H,15,18)
InChIKeyINOJEMGDEWABRC-UHFFFAOYSA-N
XLogP1.38
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.38
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-[cyclopentyl(2-hydroxyethyl)amino]acetamide
CID 62015649
2-[2-hydroxyethyl(propan-2-yl)amino]-N-phenylacetamide
CID 60696762
methyl 3-[[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-methylamino]propanoate
CID 62011670
N-(2-chloro-3-pyridinyl)-3-(propan-2-ylamino)propanamide
CID 60853808
N-(2-chloro-3-pyridinyl)-2-(methylamino)acetamide
CID 43222204
N-(2-chlorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide
CID 62021726
4-[(2-chloro-3-pyridinyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302439
3-(2-chloro-3-pyridinyl)-1,1-bis(2-methylpropyl)urea
CID 47435216
N,2-bis(2-chloro-3-pyridinyl)acetamide
CID 139691100
N-(5-bromo-2-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 62021912
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

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide (CID 60691996) is N-(2-chloro-3-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide is CC(C)N(CCO)CC(=O)Nc1cccnc1Cl.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide?
The InChIKey is INOJEMGDEWABRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-9(2)16(6-7-17)8-11(18)15-10-4-3-5-14-12(10)13/h3-5,9,17H,6-8H2,1-2H3,(H,15,18).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide?
N-(2-chloro-3-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide has a molecular weight of 271.75 g/mol, XLogP of 1.38, 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-[2-hydroxyethyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 60691996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).