N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopentanecarboxamide

C22H24N6O3 — CID 86267848

IUPACN-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopentanecarboxamide
SMILESCc1nc(NC(=O)NC(=O)C2CCCC2)ccc1Oc1ccnc(-c2cnn(C)c2)c1
InChIInChI=1S/C22H24N6O3/c1-14-19(31-17-9-10-23-18(11-17)16-12-24-28(2)13-16)7-8-20(25-14)26-22(30)27-21(29)15-5-3-4-6-15/h7-13,15H,3-6H2,1-2H3,(H2,25,26,27,29,30)
InChIKeyAMZWYWQCAVGQIH-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.82
Rot. Bonds5

About N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopentanecarboxamide

N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopentanecarboxamide (PubChem CID 86267848) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopentanecarboxamide
PubChem CID86267848
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC NameN-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopentanecarboxamide
SMILESCc1nc(NC(=O)NC(=O)C2CCCC2)ccc1Oc1ccnc(-c2cnn(C)c2)c1
InChIInChI=1S/C22H24N6O3/c1-14-19(31-17-9-10-23-18(11-17)16-12-24-28(2)13-16)7-8-20(25-14)26-22(30)27-21(29)15-5-3-4-6-15/h7-13,15H,3-6H2,1-2H3,(H2,25,26,27,29,30)
InChIKeyAMZWYWQCAVGQIH-UHFFFAOYSA-N
XLogP3.82
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopentanecarboxamide?
The IUPAC name of N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopentanecarboxamide (CID 86267848) is N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopentanecarboxamide is Cc1nc(NC(=O)NC(=O)C2CCCC2)ccc1Oc1ccnc(-c2cnn(C)c2)c1.
What is the InChIKey of N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopentanecarboxamide?
The InChIKey is AMZWYWQCAVGQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-14-19(31-17-9-10-23-18(11-17)16-12-24-28(2)13-16)7-8-20(25-14)26-22(30)27-21(29)15-5-3-4-6-15/h7-13,15H,3-6H2,1-2H3,(H2,25,26,27,29,30).
What are the key properties of N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopentanecarboxamide?
N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopentanecarboxamide has a molecular weight of 420.47 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopentanecarboxamide is sourced from PubChem (CID 86267848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).