N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide

C16H22N4O2 — CID 146085594

IUPACN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide
SMILESCOc1c(C)cnc(CN(C)C(=O)c2cc(C)nn2C)c1C
InChIInChI=1S/C16H22N4O2/c1-10-8-17-13(12(3)15(10)22-6)9-19(4)16(21)14-7-11(2)18-20(14)5/h7-8H,9H2,1-6H3
InChIKeyZZTQRSAOYILPOA-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.02
Rot. Bonds4

About N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide

N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide (PubChem CID 146085594) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide
PubChem CID146085594
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide
SMILESCOc1c(C)cnc(CN(C)C(=O)c2cc(C)nn2C)c1C
InChIInChI=1S/C16H22N4O2/c1-10-8-17-13(12(3)15(10)22-6)9-19(4)16(21)14-7-11(2)18-20(14)5/h7-8H,9H2,1-6H3
InChIKeyZZTQRSAOYILPOA-UHFFFAOYSA-N
XLogP2.02
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide
CID 51128958
3,5-dichloro-4-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide
CID 51128954
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylpyridine-2-carboxamide
CID 47086432
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 51100025
4-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylcarbamoyl]phenoxy]benzamide
CID 56548346
N-benzyl-N,2,5-trimethylpyrazole-3-carboxamide
CID 112513798
(2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2-dimethylpentanamide
CID 95316113
(2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2-dimethylpentanamide
CID 95316114
N-[(4-bromophenyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 61057739
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,3-dimethyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 71881925
2-(5-acetylthiophen-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylacetamide
CID 118765356
N-[[2-(aminomethyl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 66126875

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide (CID 146085594) is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide is COc1c(C)cnc(CN(C)C(=O)c2cc(C)nn2C)c1C.
What is the InChIKey of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide?
The InChIKey is ZZTQRSAOYILPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-10-8-17-13(12(3)15(10)22-6)9-19(4)16(21)14-7-11(2)18-20(14)5/h7-8H,9H2,1-6H3.
What are the key properties of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide?
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 146085594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).