N-[6-chloro-2-[(4-hydroxyoxan-4-yl)methylamino]-3-pyridinyl]acetamide

C13H18ClN3O3 — CID 171838773

IUPACN-[6-chloro-2-[(4-hydroxyoxan-4-yl)methylamino]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)nc1NCC1(O)CCOCC1
InChIInChI=1S/C13H18ClN3O3/c1-9(18)16-10-2-3-11(14)17-12(10)15-8-13(19)4-6-20-7-5-13/h2-3,19H,4-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyOPKAFVJXDYOWAP-UHFFFAOYSA-N
MW299.76 g/mol
LogP1.65
Rot. Bonds4

About N-[6-chloro-2-[(4-hydroxyoxan-4-yl)methylamino]-3-pyridinyl]acetamide

N-[6-chloro-2-[(4-hydroxyoxan-4-yl)methylamino]-3-pyridinyl]acetamide (PubChem CID 171838773) has the molecular formula C13H18ClN3O3 and a molecular weight of 299.76 g/mol. Its IUPAC name is N-[6-chloro-2-[(4-hydroxyoxan-4-yl)methylamino]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-chloro-2-[(4-hydroxyoxan-4-yl)methylamino]-3-pyridinyl]acetamide
PubChem CID171838773
Molecular FormulaC13H18ClN3O3
Molecular Weight299.76 g/mol
Exact Mass299.10
IUPAC NameN-[6-chloro-2-[(4-hydroxyoxan-4-yl)methylamino]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)nc1NCC1(O)CCOCC1
InChIInChI=1S/C13H18ClN3O3/c1-9(18)16-10-2-3-11(14)17-12(10)15-8-13(19)4-6-20-7-5-13/h2-3,19H,4-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyOPKAFVJXDYOWAP-UHFFFAOYSA-N
XLogP1.65
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-[(4-hydroxyoxan-4-yl)methylamino]-3-pyridinyl]acetamide?
The IUPAC name of N-[6-chloro-2-[(4-hydroxyoxan-4-yl)methylamino]-3-pyridinyl]acetamide (CID 171838773) is N-[6-chloro-2-[(4-hydroxyoxan-4-yl)methylamino]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[6-chloro-2-[(4-hydroxyoxan-4-yl)methylamino]-3-pyridinyl]acetamide?
The canonical SMILES for N-[6-chloro-2-[(4-hydroxyoxan-4-yl)methylamino]-3-pyridinyl]acetamide is CC(=O)Nc1ccc(Cl)nc1NCC1(O)CCOCC1.
What is the InChIKey of N-[6-chloro-2-[(4-hydroxyoxan-4-yl)methylamino]-3-pyridinyl]acetamide?
The InChIKey is OPKAFVJXDYOWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3/c1-9(18)16-10-2-3-11(14)17-12(10)15-8-13(19)4-6-20-7-5-13/h2-3,19H,4-8H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[6-chloro-2-[(4-hydroxyoxan-4-yl)methylamino]-3-pyridinyl]acetamide?
N-[6-chloro-2-[(4-hydroxyoxan-4-yl)methylamino]-3-pyridinyl]acetamide has a molecular weight of 299.76 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-2-[(4-hydroxyoxan-4-yl)methylamino]-3-pyridinyl]acetamide is sourced from PubChem (CID 171838773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).