N-(2-propan-2-yloxy-3-pyridinyl)formamide

C9H12N2O2 — CID 64991997

IUPACN-(2-propan-2-yloxy-3-pyridinyl)formamide
SMILESCC(C)Oc1ncccc1NC=O
InChIInChI=1S/C9H12N2O2/c1-7(2)13-9-8(11-6-12)4-3-5-10-9/h3-7H,1-2H3,(H,11,12)
InChIKeyWFTLMFOQGSKRDF-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.44
Rot. Bonds4

About N-(2-propan-2-yloxy-3-pyridinyl)formamide

N-(2-propan-2-yloxy-3-pyridinyl)formamide (PubChem CID 64991997) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is N-(2-propan-2-yloxy-3-pyridinyl)formamide.

Molecular Properties

Compound NameN-(2-propan-2-yloxy-3-pyridinyl)formamide
PubChem CID64991997
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC NameN-(2-propan-2-yloxy-3-pyridinyl)formamide
SMILESCC(C)Oc1ncccc1NC=O
InChIInChI=1S/C9H12N2O2/c1-7(2)13-9-8(11-6-12)4-3-5-10-9/h3-7H,1-2H3,(H,11,12)
InChIKeyWFTLMFOQGSKRDF-UHFFFAOYSA-N
XLogP1.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-propan-2-yloxypyridin-3-amine
CID 61374229
N-butan-2-yl-2-propan-2-yloxypyridin-3-amine
CID 61374234
2-chloro-N-(2-propan-2-yloxy-3-pyridinyl)propanamide
CID 61379626
N-(2-ethylsulfonylethyl)-2-propan-2-yloxypyridin-3-amine
CID 61379623
(2S)-2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 61379065
3-(ethylamino)-N-(2-propan-2-yloxy-3-pyridinyl)propanamide
CID 62834244
4-oxo-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butanoic acid
CID 61379431
N-(1-cyclobutylpropan-2-yl)-2-propan-2-yloxypyridin-3-amine
CID 113489848
3-methyl-2-propan-2-yloxypyridine
CID 21334096
4-(propan-2-ylamino)-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 61379540
2-bromo-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 62855618
tert-butyl 2-[(2-propan-2-yloxy-3-pyridinyl)amino]propanoate
CID 66336844

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxy-3-pyridinyl)formamide?
The IUPAC name of N-(2-propan-2-yloxy-3-pyridinyl)formamide (CID 64991997) is N-(2-propan-2-yloxy-3-pyridinyl)formamide.
What is the SMILES notation for N-(2-propan-2-yloxy-3-pyridinyl)formamide?
The canonical SMILES for N-(2-propan-2-yloxy-3-pyridinyl)formamide is CC(C)Oc1ncccc1NC=O.
What is the InChIKey of N-(2-propan-2-yloxy-3-pyridinyl)formamide?
The InChIKey is WFTLMFOQGSKRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-7(2)13-9-8(11-6-12)4-3-5-10-9/h3-7H,1-2H3,(H,11,12).
What are the key properties of N-(2-propan-2-yloxy-3-pyridinyl)formamide?
N-(2-propan-2-yloxy-3-pyridinyl)formamide has a molecular weight of 180.21 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxy-3-pyridinyl)formamide is sourced from PubChem (CID 64991997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).