2-(dimethylamino)-N-methyl-6-(4-methylthiophen-2-yl)-N-[(1R)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]pyridine-3-carboxamide

C25H27N5OS — CID 26339421

IUPAC2-(dimethylamino)-N-methyl-6-(4-methylthiophen-2-yl)-N-[(1R)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]pyridine-3-carboxamide
SMILESCc1csc(-c2ccc(C(=O)N(C)[C@H](C)c3cc(-c4ccccc4)n[nH]3)c(N(C)C)n2)c1
InChIInChI=1S/C25H27N5OS/c1-16-13-23(32-15-16)20-12-11-19(24(26-20)29(3)4)25(31)30(5)17(2)21-14-22(28-27-21)18-9-7-6-8-10-18/h6-15,17H,1-5H3,(H,27,28)/t17-/m1/s1
InChIKeyOAGWPDRUWMFNNW-QGZVFWFLSA-N
MW445.59 g/mol
LogP5.41
Rot. Bonds6

About 2-(dimethylamino)-N-methyl-6-(4-methylthiophen-2-yl)-N-[(1R)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]pyridine-3-carboxamide

2-(dimethylamino)-N-methyl-6-(4-methylthiophen-2-yl)-N-[(1R)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]pyridine-3-carboxamide (PubChem CID 26339421) has the molecular formula C25H27N5OS and a molecular weight of 445.59 g/mol. Its IUPAC name is 2-(dimethylamino)-N-methyl-6-(4-methylthiophen-2-yl)-N-[(1R)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-methyl-6-(4-methylthiophen-2-yl)-N-[(1R)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]pyridine-3-carboxamide
PubChem CID26339421
Molecular FormulaC25H27N5OS
Molecular Weight445.59 g/mol
Exact Mass445.19
IUPAC Name2-(dimethylamino)-N-methyl-6-(4-methylthiophen-2-yl)-N-[(1R)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]pyridine-3-carboxamide
SMILESCc1csc(-c2ccc(C(=O)N(C)[C@H](C)c3cc(-c4ccccc4)n[nH]3)c(N(C)C)n2)c1
InChIInChI=1S/C25H27N5OS/c1-16-13-23(32-15-16)20-12-11-19(24(26-20)29(3)4)25(31)30(5)17(2)21-14-22(28-27-21)18-9-7-6-8-10-18/h6-15,17H,1-5H3,(H,27,28)/t17-/m1/s1
InChIKeyOAGWPDRUWMFNNW-QGZVFWFLSA-N
XLogP5.41
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.59
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-methyl-6-(4-methylthiophen-2-yl)-N-[(1R)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-methyl-6-(4-methylthiophen-2-yl)-N-[(1R)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]pyridine-3-carboxamide (CID 26339421) is 2-(dimethylamino)-N-methyl-6-(4-methylthiophen-2-yl)-N-[(1R)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-methyl-6-(4-methylthiophen-2-yl)-N-[(1R)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-methyl-6-(4-methylthiophen-2-yl)-N-[(1R)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]pyridine-3-carboxamide is Cc1csc(-c2ccc(C(=O)N(C)[C@H](C)c3cc(-c4ccccc4)n[nH]3)c(N(C)C)n2)c1.
What is the InChIKey of 2-(dimethylamino)-N-methyl-6-(4-methylthiophen-2-yl)-N-[(1R)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is OAGWPDRUWMFNNW-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H27N5OS/c1-16-13-23(32-15-16)20-12-11-19(24(26-20)29(3)4)25(31)30(5)17(2)21-14-22(28-27-21)18-9-7-6-8-10-18/h6-15,17H,1-5H3,(H,27,28)/t17-/m1/s1.
What are the key properties of 2-(dimethylamino)-N-methyl-6-(4-methylthiophen-2-yl)-N-[(1R)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]pyridine-3-carboxamide?
2-(dimethylamino)-N-methyl-6-(4-methylthiophen-2-yl)-N-[(1R)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 445.59 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-methyl-6-(4-methylthiophen-2-yl)-N-[(1R)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 26339421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).