N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-propylpyrazole-3-carboxamide

C19H21N5O2 — CID 56740320

IUPACN-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-propylpyrazole-3-carboxamide
SMILESCCCn1nccc1C(=O)NCc1cccnc1Oc1ccc(C)nc1
InChIInChI=1S/C19H21N5O2/c1-3-11-24-17(8-10-23-24)18(25)22-12-15-5-4-9-20-19(15)26-16-7-6-14(2)21-13-16/h4-10,13H,3,11-12H2,1-2H3,(H,22,25)
InChIKeyMBSBGLHXOAUIQG-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.11
Rot. Bonds7

About N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-propylpyrazole-3-carboxamide

N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-propylpyrazole-3-carboxamide (PubChem CID 56740320) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-propylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-propylpyrazole-3-carboxamide
PubChem CID56740320
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-propylpyrazole-3-carboxamide
SMILESCCCn1nccc1C(=O)NCc1cccnc1Oc1ccc(C)nc1
InChIInChI=1S/C19H21N5O2/c1-3-11-24-17(8-10-23-24)18(25)22-12-15-5-4-9-20-19(15)26-16-7-6-14(2)21-13-16/h4-10,13H,3,11-12H2,1-2H3,(H,22,25)
InChIKeyMBSBGLHXOAUIQG-UHFFFAOYSA-N
XLogP3.11
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-propylpyrazole-3-carboxamide?
The IUPAC name of N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-propylpyrazole-3-carboxamide (CID 56740320) is N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-propylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-propylpyrazole-3-carboxamide?
The canonical SMILES for N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-propylpyrazole-3-carboxamide is CCCn1nccc1C(=O)NCc1cccnc1Oc1ccc(C)nc1.
What is the InChIKey of N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-propylpyrazole-3-carboxamide?
The InChIKey is MBSBGLHXOAUIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-3-11-24-17(8-10-23-24)18(25)22-12-15-5-4-9-20-19(15)26-16-7-6-14(2)21-13-16/h4-10,13H,3,11-12H2,1-2H3,(H,22,25).
What are the key properties of N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-propylpyrazole-3-carboxamide?
N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-propylpyrazole-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-propylpyrazole-3-carboxamide is sourced from PubChem (CID 56740320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).