4-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]methylamino]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide

C26H28FN5O3 — CID 56943489

IUPAC4-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]methylamino]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
SMILESNC(=O)CN1CCC(CNc2cc(C(N)=O)nc(-c3ccc(Oc4ccc(F)cc4)cc3)c2)CC1
InChIInChI=1S/C26H28FN5O3/c27-19-3-7-22(8-4-19)35-21-5-1-18(2-6-21)23-13-20(14-24(31-23)26(29)34)30-15-17-9-11-32(12-10-17)16-25(28)33/h1-8,13-14,17H,9-12,15-16H2,(H2,28,33)(H2,29,34)(H,30,31)
InChIKeyKXSWRDZXDKTSGC-UHFFFAOYSA-N
MW477.54 g/mol
LogP3.39
Rot. Bonds9

About 4-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]methylamino]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide

4-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]methylamino]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide (PubChem CID 56943489) has the molecular formula C26H28FN5O3 and a molecular weight of 477.54 g/mol. Its IUPAC name is 4-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]methylamino]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]methylamino]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
PubChem CID56943489
Molecular FormulaC26H28FN5O3
Molecular Weight477.54 g/mol
Exact Mass477.22
IUPAC Name4-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]methylamino]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
SMILESNC(=O)CN1CCC(CNc2cc(C(N)=O)nc(-c3ccc(Oc4ccc(F)cc4)cc3)c2)CC1
InChIInChI=1S/C26H28FN5O3/c27-19-3-7-22(8-4-19)35-21-5-1-18(2-6-21)23-13-20(14-24(31-23)26(29)34)30-15-17-9-11-32(12-10-17)16-25(28)33/h1-8,13-14,17H,9-12,15-16H2,(H2,28,33)(H2,29,34)(H,30,31)
InChIKeyKXSWRDZXDKTSGC-UHFFFAOYSA-N
XLogP3.39
TPSA123.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]methylamino]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]methylamino]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide (CID 56943489) is 4-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]methylamino]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]methylamino]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]methylamino]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide is NC(=O)CN1CCC(CNc2cc(C(N)=O)nc(-c3ccc(Oc4ccc(F)cc4)cc3)c2)CC1.
What is the InChIKey of 4-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]methylamino]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
The InChIKey is KXSWRDZXDKTSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O3/c27-19-3-7-22(8-4-19)35-21-5-1-18(2-6-21)23-13-20(14-24(31-23)26(29)34)30-15-17-9-11-32(12-10-17)16-25(28)33/h1-8,13-14,17H,9-12,15-16H2,(H2,28,33)(H2,29,34)(H,30,31).
What are the key properties of 4-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]methylamino]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
4-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]methylamino]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide has a molecular weight of 477.54 g/mol, XLogP of 3.39, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]methylamino]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 56943489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).