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

C22H24N6O4 — CID 86270458

IUPACN-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]oxane-4-carboxamide
SMILESCc1nc(NC(=O)NC(=O)C2CCOCC2)ccc1Oc1ccnc(-c2cnn(C)c2)c1
InChIInChI=1S/C22H24N6O4/c1-14-19(32-17-5-8-23-18(11-17)16-12-24-28(2)13-16)3-4-20(25-14)26-22(30)27-21(29)15-6-9-31-10-7-15/h3-5,8,11-13,15H,6-7,9-10H2,1-2H3,(H2,25,26,27,29,30)
InChIKeyJBPWJPNLAGHYOY-UHFFFAOYSA-N
MW436.47 g/mol
LogP3.05
Rot. Bonds5

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

N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]oxane-4-carboxamide (PubChem CID 86270458) has the molecular formula C22H24N6O4 and a molecular weight of 436.47 g/mol. Its IUPAC name is N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]oxane-4-carboxamide
PubChem CID86270458
Molecular FormulaC22H24N6O4
Molecular Weight436.47 g/mol
Exact Mass436.19
IUPAC NameN-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]oxane-4-carboxamide
SMILESCc1nc(NC(=O)NC(=O)C2CCOCC2)ccc1Oc1ccnc(-c2cnn(C)c2)c1
InChIInChI=1S/C22H24N6O4/c1-14-19(32-17-5-8-23-18(11-17)16-12-24-28(2)13-16)3-4-20(25-14)26-22(30)27-21(29)15-6-9-31-10-7-15/h3-5,8,11-13,15H,6-7,9-10H2,1-2H3,(H2,25,26,27,29,30)
InChIKeyJBPWJPNLAGHYOY-UHFFFAOYSA-N
XLogP3.05
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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]oxane-4-carboxamide?
The IUPAC name of N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]oxane-4-carboxamide (CID 86270458) is N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]oxane-4-carboxamide.
What is the SMILES notation for N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]oxane-4-carboxamide?
The canonical SMILES for N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]oxane-4-carboxamide is Cc1nc(NC(=O)NC(=O)C2CCOCC2)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]oxane-4-carboxamide?
The InChIKey is JBPWJPNLAGHYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4/c1-14-19(32-17-5-8-23-18(11-17)16-12-24-28(2)13-16)3-4-20(25-14)26-22(30)27-21(29)15-6-9-31-10-7-15/h3-5,8,11-13,15H,6-7,9-10H2,1-2H3,(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]oxane-4-carboxamide?
N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]oxane-4-carboxamide has a molecular weight of 436.47 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 8 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]oxane-4-carboxamide is sourced from PubChem (CID 86270458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).