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

C20H20N4O2 — CID 59374161

IUPACN-propyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESCCCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C20H20N4O2/c1-2-12-22-19(25)17-6-5-14-23-20(17)26-16-10-8-15(9-11-16)24-18-7-3-4-13-21-18/h3-11,13-14H,2,12H2,1H3,(H,21,24)(H,22,25)
InChIKeyHXTDKYHYDDZJBS-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.15
Rot. Bonds7

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

N-propyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (PubChem CID 59374161) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-propyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-propyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
PubChem CID59374161
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-propyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESCCCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C20H20N4O2/c1-2-12-22-19(25)17-6-5-14-23-20(17)26-16-10-8-15(9-11-16)24-18-7-3-4-13-21-18/h3-11,13-14H,2,12H2,1H3,(H,21,24)(H,22,25)
InChIKeyHXTDKYHYDDZJBS-UHFFFAOYSA-N
XLogP4.15
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-propyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (CID 59374161) is N-propyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-propyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-propyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is CCCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of N-propyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The InChIKey is HXTDKYHYDDZJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-2-12-22-19(25)17-6-5-14-23-20(17)26-16-10-8-15(9-11-16)24-18-7-3-4-13-21-18/h3-11,13-14H,2,12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-propyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
N-propyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 59374161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).