N-piperidin-1-yl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

C22H23N5O2 — CID 59373980

IUPACN-piperidin-1-yl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESO=C(NN1CCCCC1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C22H23N5O2/c28-21(26-27-15-4-1-5-16-27)19-7-6-14-24-22(19)29-18-11-9-17(10-12-18)25-20-8-2-3-13-23-20/h2-3,6-14H,1,4-5,15-16H2,(H,23,25)(H,26,28)
InChIKeyJDXIOKMOLXWERH-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.14
Rot. Bonds6

About N-piperidin-1-yl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

N-piperidin-1-yl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (PubChem CID 59373980) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-piperidin-1-yl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-piperidin-1-yl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
PubChem CID59373980
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-piperidin-1-yl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESO=C(NN1CCCCC1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C22H23N5O2/c28-21(26-27-15-4-1-5-16-27)19-7-6-14-24-22(19)29-18-11-9-17(10-12-18)25-20-8-2-3-13-23-20/h2-3,6-14H,1,4-5,15-16H2,(H,23,25)(H,26,28)
InChIKeyJDXIOKMOLXWERH-UHFFFAOYSA-N
XLogP4.14
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-1-yl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-piperidin-1-yl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (CID 59373980) is N-piperidin-1-yl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-piperidin-1-yl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-piperidin-1-yl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is O=C(NN1CCCCC1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of N-piperidin-1-yl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The InChIKey is JDXIOKMOLXWERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c28-21(26-27-15-4-1-5-16-27)19-7-6-14-24-22(19)29-18-11-9-17(10-12-18)25-20-8-2-3-13-23-20/h2-3,6-14H,1,4-5,15-16H2,(H,23,25)(H,26,28).
What are the key properties of N-piperidin-1-yl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
N-piperidin-1-yl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-1-yl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 59373980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).