2,3-di(propan-2-yloxy)benzaldehyde;pyridine-3-carboxamide

C19H24N2O4 — CID 160987960

IUPAC2,3-di(propan-2-yloxy)benzaldehyde;pyridine-3-carboxamide
SMILESCC(C)Oc1cccc(C=O)c1OC(C)C.NC(=O)c1cccnc1
InChIInChI=1S/C13H18O3.C6H6N2O/c1-9(2)15-12-7-5-6-11(8-14)13(12)16-10(3)4;7-6(9)5-2-1-3-8-4-5/h5-10H,1-4H3;1-4H,(H2,7,9)
InChIKeyTUFOLTVCOABNBD-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.25
Rot. Bonds6

About 2,3-di(propan-2-yloxy)benzaldehyde;pyridine-3-carboxamide

2,3-di(propan-2-yloxy)benzaldehyde;pyridine-3-carboxamide (PubChem CID 160987960) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2,3-di(propan-2-yloxy)benzaldehyde;pyridine-3-carboxamide.

Molecular Properties

Compound Name2,3-di(propan-2-yloxy)benzaldehyde;pyridine-3-carboxamide
PubChem CID160987960
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name2,3-di(propan-2-yloxy)benzaldehyde;pyridine-3-carboxamide
SMILESCC(C)Oc1cccc(C=O)c1OC(C)C.NC(=O)c1cccnc1
InChIInChI=1S/C13H18O3.C6H6N2O/c1-9(2)15-12-7-5-6-11(8-14)13(12)16-10(3)4;7-6(9)5-2-1-3-8-4-5/h5-10H,1-4H3;1-4H,(H2,7,9)
InChIKeyTUFOLTVCOABNBD-UHFFFAOYSA-N
XLogP3.25
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 175154223
CID 175154223
methane;pyridine-3-carboxamide
CID 19390506
benzene;pyridine-3-carboxamide
CID 66766032
azane;platinum(4+);pyridine-3-carboxamide;dichloride
CID 71548674
oxalic acid;pyridine-3-carboxamide
CID 69110411
platinum(2+);tetrakis(pyridine-3-carboxamide);dihexafluorophosphate;dihydrate
CID 139153914
2-hydroxy-3-methoxybenzaldehyde;pyridine-3-carboxylic acid
CID 175442040
potassium;ethene;pyridine-3-carboxamide
CID 174767244
pyridine-3-carboxamide;(3S,4R)-3,4,5-trihydroxypentanal
CID 87676213
4-propan-2-yloxy-2-pyridin-3-ylbenzaldehyde
CID 172651049
[(E)-[amino(pyridin-3-yl)methylidene]amino] 3-propan-2-yloxybenzoate
CID 8779173
4-carbamoylbenzoic acid;pyridine-3-carboxamide
CID 70159642

Frequently Asked Questions

What is the IUPAC name of 2,3-di(propan-2-yloxy)benzaldehyde;pyridine-3-carboxamide?
The IUPAC name of 2,3-di(propan-2-yloxy)benzaldehyde;pyridine-3-carboxamide (CID 160987960) is 2,3-di(propan-2-yloxy)benzaldehyde;pyridine-3-carboxamide.
What is the SMILES notation for 2,3-di(propan-2-yloxy)benzaldehyde;pyridine-3-carboxamide?
The canonical SMILES for 2,3-di(propan-2-yloxy)benzaldehyde;pyridine-3-carboxamide is CC(C)Oc1cccc(C=O)c1OC(C)C.NC(=O)c1cccnc1.
What is the InChIKey of 2,3-di(propan-2-yloxy)benzaldehyde;pyridine-3-carboxamide?
The InChIKey is TUFOLTVCOABNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3.C6H6N2O/c1-9(2)15-12-7-5-6-11(8-14)13(12)16-10(3)4;7-6(9)5-2-1-3-8-4-5/h5-10H,1-4H3;1-4H,(H2,7,9).
What are the key properties of 2,3-di(propan-2-yloxy)benzaldehyde;pyridine-3-carboxamide?
2,3-di(propan-2-yloxy)benzaldehyde;pyridine-3-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propan-2-yloxy)benzaldehyde;pyridine-3-carboxamide is sourced from PubChem (CID 160987960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).