4-[2-(1-isocyanopyrrolidin-2-yl)ethoxy]pyridin-2-amine

C12H16N4O — CID 153492411

IUPAC4-[2-(1-isocyanopyrrolidin-2-yl)ethoxy]pyridin-2-amine
SMILES[C-]#[N+]N1CCCC1CCOc1ccnc(N)c1
InChIInChI=1S/C12H16N4O/c1-14-16-7-2-3-10(16)5-8-17-11-4-6-15-12(13)9-11/h4,6,9-10H,2-3,5,7-8H2,(H2,13,15)
InChIKeyFZYKWYRIUFKPKM-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.73
Rot. Bonds4

About 4-[2-(1-isocyanopyrrolidin-2-yl)ethoxy]pyridin-2-amine

4-[2-(1-isocyanopyrrolidin-2-yl)ethoxy]pyridin-2-amine (PubChem CID 153492411) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-[2-(1-isocyanopyrrolidin-2-yl)ethoxy]pyridin-2-amine.

Molecular Properties

Compound Name4-[2-(1-isocyanopyrrolidin-2-yl)ethoxy]pyridin-2-amine
PubChem CID153492411
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name4-[2-(1-isocyanopyrrolidin-2-yl)ethoxy]pyridin-2-amine
SMILES[C-]#[N+]N1CCCC1CCOc1ccnc(N)c1
InChIInChI=1S/C12H16N4O/c1-14-16-7-2-3-10(16)5-8-17-11-4-6-15-12(13)9-11/h4,6,9-10H,2-3,5,7-8H2,(H2,13,15)
InChIKeyFZYKWYRIUFKPKM-UHFFFAOYSA-N
XLogP1.73
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine
CID 155587886
4-(2-azidoethoxy)pyridin-2-amine
CID 169237712
4-[2-[4-(oxetan-3-yl)piperazin-1-yl]ethoxy]pyridin-2-amine
CID 155587706
3-[1-[2-(3-aminophenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 62466799
4-methoxypyridin-2-amine;pyrrolidine-1-carbonitrile
CID 142471498
4-[3-[(2-amino-4-pyridinyl)oxy]propyl]morpholin-3-one
CID 155587801
[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
CID 106485036
2-[2-[2-(3-methylphenoxy)ethyl]pyrrolidin-1-yl]ethanamine
CID 112518629
[2-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
CID 81279315
2-[2-(3-methoxyphenoxy)ethyl]-1-methylpiperidine
CID 70628177
2-[(2-butylpyrrolidin-1-yl)methyl]pyridin-4-amine
CID 177189178
4-[[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine
CID 126790792

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-isocyanopyrrolidin-2-yl)ethoxy]pyridin-2-amine?
The IUPAC name of 4-[2-(1-isocyanopyrrolidin-2-yl)ethoxy]pyridin-2-amine (CID 153492411) is 4-[2-(1-isocyanopyrrolidin-2-yl)ethoxy]pyridin-2-amine.
What is the SMILES notation for 4-[2-(1-isocyanopyrrolidin-2-yl)ethoxy]pyridin-2-amine?
The canonical SMILES for 4-[2-(1-isocyanopyrrolidin-2-yl)ethoxy]pyridin-2-amine is [C-]#[N+]N1CCCC1CCOc1ccnc(N)c1.
What is the InChIKey of 4-[2-(1-isocyanopyrrolidin-2-yl)ethoxy]pyridin-2-amine?
The InChIKey is FZYKWYRIUFKPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-14-16-7-2-3-10(16)5-8-17-11-4-6-15-12(13)9-11/h4,6,9-10H,2-3,5,7-8H2,(H2,13,15).
What are the key properties of 4-[2-(1-isocyanopyrrolidin-2-yl)ethoxy]pyridin-2-amine?
4-[2-(1-isocyanopyrrolidin-2-yl)ethoxy]pyridin-2-amine has a molecular weight of 232.29 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-isocyanopyrrolidin-2-yl)ethoxy]pyridin-2-amine is sourced from PubChem (CID 153492411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).