N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide

C17H22N4O3 — CID 166245926

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(C)nn2C2CCOCC2)cn1
InChIInChI=1S/C17H22N4O3/c1-12-9-15(21(20-12)14-5-7-24-8-6-14)17(22)19-11-13-3-4-16(23-2)18-10-13/h3-4,9-10,14H,5-8,11H2,1-2H3,(H,19,22)
InChIKeyNQFSRVLVOBQDKS-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.88
Rot. Bonds5

About N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide

N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide (PubChem CID 166245926) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide
PubChem CID166245926
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(C)nn2C2CCOCC2)cn1
InChIInChI=1S/C17H22N4O3/c1-12-9-15(21(20-12)14-5-7-24-8-6-14)17(22)19-11-13-3-4-16(23-2)18-10-13/h3-4,9-10,14H,5-8,11H2,1-2H3,(H,19,22)
InChIKeyNQFSRVLVOBQDKS-UHFFFAOYSA-N
XLogP1.88
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 126767913
2-[(6-methoxy-3-pyridinyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63097814
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
N-(2-fluoro-3-methoxy-4-pyridinyl)-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide
CID 167933715
1-[(6-methoxy-3-pyridinyl)methyl]-3-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]urea
CID 94057278
4-bromo-1-ethyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrrole-2-carboxamide
CID 61249259
4-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]oxane-4-carboxamide
CID 62993835
N-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81239641
1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 62992812
3,5-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 16602233
N-[(6-methoxy-3-pyridinyl)methyl]-4-phenylbenzamide
CID 24589971
3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51306023

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide (CID 166245926) is N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide is COc1ccc(CNC(=O)c2cc(C)nn2C2CCOCC2)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide?
The InChIKey is NQFSRVLVOBQDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-12-9-15(21(20-12)14-5-7-24-8-6-14)17(22)19-11-13-3-4-16(23-2)18-10-13/h3-4,9-10,14H,5-8,11H2,1-2H3,(H,19,22).
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide?
N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 166245926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).