3-(pyridine-4-carbonylamino)propyl hydrogen carbonate

C10H12N2O4 — CID 130453907

IUPAC3-(pyridine-4-carbonylamino)propyl hydrogen carbonate
SMILESO=C(O)OCCCNC(=O)c1ccncc1
InChIInChI=1S/C10H12N2O4/c13-9(8-2-5-11-6-3-8)12-4-1-7-16-10(14)15/h2-3,5-6H,1,4,7H2,(H,12,13)(H,14,15)
InChIKeyFVKPPTQWCTXXQT-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.90
Rot. Bonds5

About 3-(pyridine-4-carbonylamino)propyl hydrogen carbonate

3-(pyridine-4-carbonylamino)propyl hydrogen carbonate (PubChem CID 130453907) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 3-(pyridine-4-carbonylamino)propyl hydrogen carbonate.

Molecular Properties

Compound Name3-(pyridine-4-carbonylamino)propyl hydrogen carbonate
PubChem CID130453907
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name3-(pyridine-4-carbonylamino)propyl hydrogen carbonate
SMILESO=C(O)OCCCNC(=O)c1ccncc1
InChIInChI=1S/C10H12N2O4/c13-9(8-2-5-11-6-3-8)12-4-1-7-16-10(14)15/h2-3,5-6H,1,4,7H2,(H,12,13)(H,14,15)
InChIKeyFVKPPTQWCTXXQT-UHFFFAOYSA-N
XLogP0.90
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminooxybutyl)pyridine-4-carboxamide
CID 139932357
N-butylpyridine-4-carboxamide
CID 5030535
N-[3-(4-fluorophenoxy)propyl]pyridine-4-carboxamide
CID 47473376
2-benzamidoethyl pyridine-4-carboxylate
CID 2174536
N-pentylpyridine-4-carboxamide
CID 2307296
N-(3-pyridin-4-ylsulfanylpropyl)pyridine-4-carboxamide
CID 67740105
N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]pyridine-4-carboxamide
CID 108934864
N-(3-sulfamoylpropyl)pyridine-4-carboxamide
CID 47337075
N-hexylpyridine-4-carboxamide
CID 3423732
N-(2-trimethylsilyloxyethyl)pyridine-4-carboxamide
CID 11064466
methyl 6-(pyridine-4-carbonylamino)hexanoate
CID 39070425
tert-butyl N-[3-(pyridine-4-carbonylamino)propyl]carbamate
CID 18510355

Frequently Asked Questions

What is the IUPAC name of 3-(pyridine-4-carbonylamino)propyl hydrogen carbonate?
The IUPAC name of 3-(pyridine-4-carbonylamino)propyl hydrogen carbonate (CID 130453907) is 3-(pyridine-4-carbonylamino)propyl hydrogen carbonate.
What is the SMILES notation for 3-(pyridine-4-carbonylamino)propyl hydrogen carbonate?
The canonical SMILES for 3-(pyridine-4-carbonylamino)propyl hydrogen carbonate is O=C(O)OCCCNC(=O)c1ccncc1.
What is the InChIKey of 3-(pyridine-4-carbonylamino)propyl hydrogen carbonate?
The InChIKey is FVKPPTQWCTXXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c13-9(8-2-5-11-6-3-8)12-4-1-7-16-10(14)15/h2-3,5-6H,1,4,7H2,(H,12,13)(H,14,15).
What are the key properties of 3-(pyridine-4-carbonylamino)propyl hydrogen carbonate?
3-(pyridine-4-carbonylamino)propyl hydrogen carbonate has a molecular weight of 224.22 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridine-4-carbonylamino)propyl hydrogen carbonate is sourced from PubChem (CID 130453907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).