4-amino-N-(2-chloro-3-pyridinyl)oxane-4-carboxamide

C11H14ClN3O2 — CID 113280621

IUPAC4-amino-N-(2-chloro-3-pyridinyl)oxane-4-carboxamide
SMILESNC1(C(=O)Nc2cccnc2Cl)CCOCC1
InChIInChI=1S/C11H14ClN3O2/c12-9-8(2-1-5-14-9)15-10(16)11(13)3-6-17-7-4-11/h1-2,5H,3-4,6-7,13H2,(H,15,16)
InChIKeyDRBNAWMSFOYQKB-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.18
Rot. Bonds2

About 4-amino-N-(2-chloro-3-pyridinyl)oxane-4-carboxamide

4-amino-N-(2-chloro-3-pyridinyl)oxane-4-carboxamide (PubChem CID 113280621) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 4-amino-N-(2-chloro-3-pyridinyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-chloro-3-pyridinyl)oxane-4-carboxamide
PubChem CID113280621
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name4-amino-N-(2-chloro-3-pyridinyl)oxane-4-carboxamide
SMILESNC1(C(=O)Nc2cccnc2Cl)CCOCC1
InChIInChI=1S/C11H14ClN3O2/c12-9-8(2-1-5-14-9)15-10(16)11(13)3-6-17-7-4-11/h1-2,5H,3-4,6-7,13H2,(H,15,16)
InChIKeyDRBNAWMSFOYQKB-UHFFFAOYSA-N
XLogP1.18
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.18
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

4-amino-N-(2-ethoxy-3-pyridinyl)oxane-4-carboxamide
CID 115293923
4-amino-N-pyrimidin-2-yloxane-4-carboxamide
CID 115293590
4-amino-N-(2,3-dichlorophenyl)oxane-4-carboxamide
CID 115293616
3-amino-N-(2-methoxy-3-pyridinyl)oxolane-3-carboxamide
CID 64891921
3-amino-N-(2-ethoxy-3-pyridinyl)oxolane-3-carboxamide
CID 64893957
4-amino-N-(2-sulfamoylphenyl)oxane-4-carboxamide
CID 115294474
4-amino-N-(2-cyanophenyl)oxane-4-carboxamide
CID 113280537
4-amino-N-[2-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 115293483
3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-3-carboxamide
CID 64893352
N-(2-chloro-3-pyridinyl)adamantane-1-carboxamide
CID 3908305
1-amino-N-[2-(dimethylamino)-3-pyridinyl]cyclopropane-1-carboxamide
CID 65463803
2-[(4-aminooxane-4-carbonyl)amino]-4-chlorobenzoic acid
CID 115294490

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-chloro-3-pyridinyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(2-chloro-3-pyridinyl)oxane-4-carboxamide (CID 113280621) is 4-amino-N-(2-chloro-3-pyridinyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(2-chloro-3-pyridinyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(2-chloro-3-pyridinyl)oxane-4-carboxamide is NC1(C(=O)Nc2cccnc2Cl)CCOCC1.
What is the InChIKey of 4-amino-N-(2-chloro-3-pyridinyl)oxane-4-carboxamide?
The InChIKey is DRBNAWMSFOYQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c12-9-8(2-1-5-14-9)15-10(16)11(13)3-6-17-7-4-11/h1-2,5H,3-4,6-7,13H2,(H,15,16).
What are the key properties of 4-amino-N-(2-chloro-3-pyridinyl)oxane-4-carboxamide?
4-amino-N-(2-chloro-3-pyridinyl)oxane-4-carboxamide has a molecular weight of 255.70 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-chloro-3-pyridinyl)oxane-4-carboxamide is sourced from PubChem (CID 113280621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).