3-[[3-(tert-butylamino)-2-hydroxypropoxy]carbamoyl]pyridine-2-carbonyl chloride

C14H20ClN3O4 — CID 18766215

IUPAC3-[[3-(tert-butylamino)-2-hydroxypropoxy]carbamoyl]pyridine-2-carbonyl chloride
SMILESCC(C)(C)NCC(O)CONC(=O)c1cccnc1C(=O)Cl
InChIInChI=1S/C14H20ClN3O4/c1-14(2,3)17-7-9(19)8-22-18-13(21)10-5-4-6-16-11(10)12(15)20/h4-6,9,17,19H,7-8H2,1-3H3,(H,18,21)
InChIKeyUARRLDGZXPBZBY-UHFFFAOYSA-N
MW329.78 g/mol
LogP0.87
Rot. Bonds7

About 3-[[3-(tert-butylamino)-2-hydroxypropoxy]carbamoyl]pyridine-2-carbonyl chloride

3-[[3-(tert-butylamino)-2-hydroxypropoxy]carbamoyl]pyridine-2-carbonyl chloride (PubChem CID 18766215) has the molecular formula C14H20ClN3O4 and a molecular weight of 329.78 g/mol. Its IUPAC name is 3-[[3-(tert-butylamino)-2-hydroxypropoxy]carbamoyl]pyridine-2-carbonyl chloride.

Molecular Properties

Compound Name3-[[3-(tert-butylamino)-2-hydroxypropoxy]carbamoyl]pyridine-2-carbonyl chloride
PubChem CID18766215
Molecular FormulaC14H20ClN3O4
Molecular Weight329.78 g/mol
Exact Mass329.11
IUPAC Name3-[[3-(tert-butylamino)-2-hydroxypropoxy]carbamoyl]pyridine-2-carbonyl chloride
SMILESCC(C)(C)NCC(O)CONC(=O)c1cccnc1C(=O)Cl
InChIInChI=1S/C14H20ClN3O4/c1-14(2,3)17-7-9(19)8-22-18-13(21)10-5-4-6-16-11(10)12(15)20/h4-6,9,17,19H,7-8H2,1-3H3,(H,18,21)
InChIKeyUARRLDGZXPBZBY-UHFFFAOYSA-N
XLogP0.87
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[[3-(tert-butylamino)-2-hydroxypropoxy]carbamoyl]pyridine-2-carbonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-hydroxy-3-piperidin-1-ylpropoxy)carbamoyl]pyridine-2-carbonyl chloride
CID 87474648
N-[3-(tert-butylamino)-2-hydroxypropoxy]-N,2-dichloropyridine-3-carboxamide
CID 87473954
(Z)-but-2-enedioic acid;N-[3-(tert-butylamino)-2-hydroxypropoxy]-N,2-dichloropyridine-3-carboxamide
CID 159281346
methyl 2-[3-(tert-butylamino)-2-hydroxypropoxy]benzoate
CID 13040879
1-(tert-butylamino)-3-[(2-nitro-3-pyridinyl)oxy]propan-2-ol
CID 115475954
2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]acetamide
CID 10424650
1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one chloride
CID 53346768
but-2-enedioic acid;1-(tert-butylamino)-3-[(3-pyrrol-1-yl-2-pyridinyl)oxy]propan-2-ol
CID 70532891
(Z)-but-2-enedioic acid;(2S)-1-(tert-butylamino)-3-[(3-pyrrol-1-yl-2-pyridinyl)oxy]propan-2-ol
CID 160617953
2-(ethoxycarbamoyl)pyridine-3-carboxylic acid
CID 64974014
2-[3-(tert-butylamino)-2-hydroxypropoxy]-N-indol-1-ylbenzamide
CID 54435881
ethyl 2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-[(2-chlorobenzoyl)amino]benzoate
CID 13473046

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(tert-butylamino)-2-hydroxypropoxy]carbamoyl]pyridine-2-carbonyl chloride?
The IUPAC name of 3-[[3-(tert-butylamino)-2-hydroxypropoxy]carbamoyl]pyridine-2-carbonyl chloride (CID 18766215) is 3-[[3-(tert-butylamino)-2-hydroxypropoxy]carbamoyl]pyridine-2-carbonyl chloride.
What is the SMILES notation for 3-[[3-(tert-butylamino)-2-hydroxypropoxy]carbamoyl]pyridine-2-carbonyl chloride?
The canonical SMILES for 3-[[3-(tert-butylamino)-2-hydroxypropoxy]carbamoyl]pyridine-2-carbonyl chloride is CC(C)(C)NCC(O)CONC(=O)c1cccnc1C(=O)Cl.
What is the InChIKey of 3-[[3-(tert-butylamino)-2-hydroxypropoxy]carbamoyl]pyridine-2-carbonyl chloride?
The InChIKey is UARRLDGZXPBZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O4/c1-14(2,3)17-7-9(19)8-22-18-13(21)10-5-4-6-16-11(10)12(15)20/h4-6,9,17,19H,7-8H2,1-3H3,(H,18,21).
What are the key properties of 3-[[3-(tert-butylamino)-2-hydroxypropoxy]carbamoyl]pyridine-2-carbonyl chloride?
3-[[3-(tert-butylamino)-2-hydroxypropoxy]carbamoyl]pyridine-2-carbonyl chloride has a molecular weight of 329.78 g/mol, XLogP of 0.87, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(tert-butylamino)-2-hydroxypropoxy]carbamoyl]pyridine-2-carbonyl chloride is sourced from PubChem (CID 18766215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).