N-ethyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

C19H18N4O2 — CID 59374142

IUPACN-ethyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESCCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C19H18N4O2/c1-2-20-18(24)16-6-5-13-22-19(16)25-15-10-8-14(9-11-15)23-17-7-3-4-12-21-17/h3-13H,2H2,1H3,(H,20,24)(H,21,23)
InChIKeyJLDCFKOXVDYUIO-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.76
Rot. Bonds6

About N-ethyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

N-ethyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (PubChem CID 59374142) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-ethyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
PubChem CID59374142
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-ethyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESCCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C19H18N4O2/c1-2-20-18(24)16-6-5-13-22-19(16)25-15-10-8-14(9-11-15)23-17-7-3-4-12-21-17/h3-13H,2H2,1H3,(H,20,24)(H,21,23)
InChIKeyJLDCFKOXVDYUIO-UHFFFAOYSA-N
XLogP3.76
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-ethyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (CID 59374142) is N-ethyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is CCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of N-ethyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The InChIKey is JLDCFKOXVDYUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-2-20-18(24)16-6-5-13-22-19(16)25-15-10-8-14(9-11-15)23-17-7-3-4-12-21-17/h3-13H,2H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-ethyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
N-ethyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 59374142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).