6-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl-methylamino]-N,N-dimethylpyridine-3-carboxamide

C21H25N5O — CID 134703926

IUPAC6-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl-methylamino]-N,N-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)n(-c2cccc(CN(C)c3ccc(C(=O)N(C)C)cn3)c2)n1
InChIInChI=1S/C21H25N5O/c1-15-11-16(2)26(23-15)19-8-6-7-17(12-19)14-25(5)20-10-9-18(13-22-20)21(27)24(3)4/h6-13H,14H2,1-5H3
InChIKeyRVRZGWSZWXSKMA-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.22
Rot. Bonds5

About 6-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl-methylamino]-N,N-dimethylpyridine-3-carboxamide

6-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl-methylamino]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 134703926) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 6-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl-methylamino]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl-methylamino]-N,N-dimethylpyridine-3-carboxamide
PubChem CID134703926
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name6-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl-methylamino]-N,N-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)n(-c2cccc(CN(C)c3ccc(C(=O)N(C)C)cn3)c2)n1
InChIInChI=1S/C21H25N5O/c1-15-11-16(2)26(23-15)19-8-6-7-17(12-19)14-25(5)20-10-9-18(13-22-20)21(27)24(3)4/h6-13H,14H2,1-5H3
InChIKeyRVRZGWSZWXSKMA-UHFFFAOYSA-N
XLogP3.22
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl-methylamino]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl-methylamino]-N,N-dimethylpyridine-3-carboxamide (CID 134703926) is 6-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl-methylamino]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl-methylamino]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl-methylamino]-N,N-dimethylpyridine-3-carboxamide is Cc1cc(C)n(-c2cccc(CN(C)c3ccc(C(=O)N(C)C)cn3)c2)n1.
What is the InChIKey of 6-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl-methylamino]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is RVRZGWSZWXSKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-15-11-16(2)26(23-15)19-8-6-7-17(12-19)14-25(5)20-10-9-18(13-22-20)21(27)24(3)4/h6-13H,14H2,1-5H3.
What are the key properties of 6-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl-methylamino]-N,N-dimethylpyridine-3-carboxamide?
6-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl-methylamino]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl-methylamino]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 134703926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).