N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

C24H24N6O2 — CID 59374060

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESCc1n[nH]c(C)c1CCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C24H24N6O2/c1-16-20(17(2)30-29-16)12-15-26-23(31)21-6-5-14-27-24(21)32-19-10-8-18(9-11-19)28-22-7-3-4-13-25-22/h3-11,13-14H,12,15H2,1-2H3,(H,25,28)(H,26,31)(H,29,30)
InChIKeyFZAGKLHFXMIKMS-UHFFFAOYSA-N
MW428.50 g/mol
LogP4.32
Rot. Bonds8

About N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (PubChem CID 59374060) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
PubChem CID59374060
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESCc1n[nH]c(C)c1CCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C24H24N6O2/c1-16-20(17(2)30-29-16)12-15-26-23(31)21-6-5-14-27-24(21)32-19-10-8-18(9-11-19)28-22-7-3-4-13-25-22/h3-11,13-14H,12,15H2,1-2H3,(H,25,28)(H,26,31)(H,29,30)
InChIKeyFZAGKLHFXMIKMS-UHFFFAOYSA-N
XLogP4.32
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (CID 59374060) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is Cc1n[nH]c(C)c1CCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The InChIKey is FZAGKLHFXMIKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-16-20(17(2)30-29-16)12-15-26-23(31)21-6-5-14-27-24(21)32-19-10-8-18(9-11-19)28-22-7-3-4-13-25-22/h3-11,13-14H,12,15H2,1-2H3,(H,25,28)(H,26,31)(H,29,30).
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide has a molecular weight of 428.50 g/mol, XLogP of 4.32, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 59374060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).