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

C24H26N4O2 — CID 59374014

IUPACN-(3-methylcyclohexyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESCC1CCCC(NC(=O)c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1
InChIInChI=1S/C24H26N4O2/c1-17-6-4-7-19(16-17)28-23(29)21-8-5-15-26-24(21)30-20-12-10-18(11-13-20)27-22-9-2-3-14-25-22/h2-3,5,8-15,17,19H,4,6-7,16H2,1H3,(H,25,27)(H,28,29)
InChIKeyJUQNLOMOUWTRQC-UHFFFAOYSA-N
MW402.50 g/mol
LogP5.32
Rot. Bonds6

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

N-(3-methylcyclohexyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (PubChem CID 59374014) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-(3-methylcyclohexyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylcyclohexyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
PubChem CID59374014
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-(3-methylcyclohexyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESCC1CCCC(NC(=O)c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1
InChIInChI=1S/C24H26N4O2/c1-17-6-4-7-19(16-17)28-23(29)21-8-5-15-26-24(21)30-20-12-10-18(11-13-20)27-22-9-2-3-14-25-22/h2-3,5,8-15,17,19H,4,6-7,16H2,1H3,(H,25,27)(H,28,29)
InChIKeyJUQNLOMOUWTRQC-UHFFFAOYSA-N
XLogP5.32
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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-(3-methylcyclohexyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-(3-methylcyclohexyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (CID 59374014) is N-(3-methylcyclohexyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methylcyclohexyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-(3-methylcyclohexyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is CC1CCCC(NC(=O)c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1.
What is the InChIKey of N-(3-methylcyclohexyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The InChIKey is JUQNLOMOUWTRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-17-6-4-7-19(16-17)28-23(29)21-8-5-15-26-24(21)30-20-12-10-18(11-13-20)27-22-9-2-3-14-25-22/h2-3,5,8-15,17,19H,4,6-7,16H2,1H3,(H,25,27)(H,28,29).
What are the key properties of N-(3-methylcyclohexyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
N-(3-methylcyclohexyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 5.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclohexyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 59374014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).