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

C24H26N4O2 — CID 59374173

IUPACN-(cyclohexylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESO=C(NCC1CCCCC1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C24H26N4O2/c29-23(27-17-18-7-2-1-3-8-18)21-9-6-16-26-24(21)30-20-13-11-19(12-14-20)28-22-10-4-5-15-25-22/h4-6,9-16,18H,1-3,7-8,17H2,(H,25,28)(H,27,29)
InChIKeyFHYRPMUMLBXQTM-UHFFFAOYSA-N
MW402.50 g/mol
LogP5.32
Rot. Bonds7

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

N-(cyclohexylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (PubChem CID 59374173) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
PubChem CID59374173
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-(cyclohexylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESO=C(NCC1CCCCC1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C24H26N4O2/c29-23(27-17-18-7-2-1-3-8-18)21-9-6-16-26-24(21)30-20-13-11-19(12-14-20)28-22-10-4-5-15-25-22/h4-6,9-16,18H,1-3,7-8,17H2,(H,25,28)(H,27,29)
InChIKeyFHYRPMUMLBXQTM-UHFFFAOYSA-N
XLogP5.32
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (CID 59374173) is N-(cyclohexylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is O=C(NCC1CCCCC1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The InChIKey is FHYRPMUMLBXQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c29-23(27-17-18-7-2-1-3-8-18)21-9-6-16-26-24(21)30-20-13-11-19(12-14-20)28-22-10-4-5-15-25-22/h4-6,9-16,18H,1-3,7-8,17H2,(H,25,28)(H,27,29).
What are the key properties of N-(cyclohexylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
N-(cyclohexylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 5.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 59374173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).