N-[4-(4-aminophenoxy)-3-(dimethylamino)-2-pyridinyl]formamide

C14H16N4O2 — CID 143215939

IUPACN-[4-(4-aminophenoxy)-3-(dimethylamino)-2-pyridinyl]formamide
SMILESCN(C)c1c(Oc2ccc(N)cc2)ccnc1NC=O
InChIInChI=1S/C14H16N4O2/c1-18(2)13-12(7-8-16-14(13)17-9-19)20-11-5-3-10(15)4-6-11/h3-9H,15H2,1-2H3,(H,16,17,19)
InChIKeyLEZGSXSIPMPQHB-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.09
Rot. Bonds5

About N-[4-(4-aminophenoxy)-3-(dimethylamino)-2-pyridinyl]formamide

N-[4-(4-aminophenoxy)-3-(dimethylamino)-2-pyridinyl]formamide (PubChem CID 143215939) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[4-(4-aminophenoxy)-3-(dimethylamino)-2-pyridinyl]formamide.

Molecular Properties

Compound NameN-[4-(4-aminophenoxy)-3-(dimethylamino)-2-pyridinyl]formamide
PubChem CID143215939
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-[4-(4-aminophenoxy)-3-(dimethylamino)-2-pyridinyl]formamide
SMILESCN(C)c1c(Oc2ccc(N)cc2)ccnc1NC=O
InChIInChI=1S/C14H16N4O2/c1-18(2)13-12(7-8-16-14(13)17-9-19)20-11-5-3-10(15)4-6-11/h3-9H,15H2,1-2H3,(H,16,17,19)
InChIKeyLEZGSXSIPMPQHB-UHFFFAOYSA-N
XLogP2.09
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminophenoxy)-3-(dimethylamino)-2-pyridinyl]formamide?
The IUPAC name of N-[4-(4-aminophenoxy)-3-(dimethylamino)-2-pyridinyl]formamide (CID 143215939) is N-[4-(4-aminophenoxy)-3-(dimethylamino)-2-pyridinyl]formamide.
What is the SMILES notation for N-[4-(4-aminophenoxy)-3-(dimethylamino)-2-pyridinyl]formamide?
The canonical SMILES for N-[4-(4-aminophenoxy)-3-(dimethylamino)-2-pyridinyl]formamide is CN(C)c1c(Oc2ccc(N)cc2)ccnc1NC=O.
What is the InChIKey of N-[4-(4-aminophenoxy)-3-(dimethylamino)-2-pyridinyl]formamide?
The InChIKey is LEZGSXSIPMPQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-18(2)13-12(7-8-16-14(13)17-9-19)20-11-5-3-10(15)4-6-11/h3-9H,15H2,1-2H3,(H,16,17,19).
What are the key properties of N-[4-(4-aminophenoxy)-3-(dimethylamino)-2-pyridinyl]formamide?
N-[4-(4-aminophenoxy)-3-(dimethylamino)-2-pyridinyl]formamide has a molecular weight of 272.31 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminophenoxy)-3-(dimethylamino)-2-pyridinyl]formamide is sourced from PubChem (CID 143215939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).